| @@ -1,33 +1,68 @@ | | | @@ -1,33 +1,68 @@ |
1 | @comment $NetBSD: PLIST,v 1.4 2019/11/20 17:02:12 kamil Exp $ | | 1 | @comment $NetBSD: PLIST,v 1.5 2020/06/29 12:10:34 ryoon Exp $ |
2 | bin/obabel | | 2 | bin/obabel |
3 | bin/obconformer | | 3 | bin/obconformer |
| | | 4 | bin/obdistgen |
| | | 5 | ${PLIST.wx-gui}bin/obgui |
4 | bin/obenergy | | 6 | bin/obenergy |
5 | bin/obfit | | 7 | bin/obfit |
6 | bin/obfitall | | 8 | bin/obfitall |
7 | bin/obgen | | 9 | bin/obgen |
8 | bin/obgrep | | 10 | bin/obgrep |
9 | bin/obminimize | | 11 | bin/obminimize |
10 | bin/obmm | | 12 | bin/obmm |
11 | bin/obprobe | | 13 | bin/obprobe |
12 | bin/obprop | | 14 | bin/obprop |
| | | 15 | bin/obrms |
13 | bin/obrotamer | | 16 | bin/obrotamer |
14 | bin/obrotate | | 17 | bin/obrotate |
15 | bin/obspectrophore | | 18 | bin/obspectrophore |
16 | bin/obsym | | 19 | bin/obsym |
17 | bin/obtautomer | | 20 | bin/obtautomer |
18 | bin/obthermo | | 21 | bin/obthermo |
19 | bin/roundtrip | | 22 | bin/roundtrip |
| | | 23 | include/coordgen/CoordgenConfig.hpp |
| | | 24 | include/coordgen/CoordgenFragmentBuilder.h |
| | | 25 | include/coordgen/CoordgenFragmenter.h |
| | | 26 | include/coordgen/CoordgenMacrocycleBuilder.h |
| | | 27 | include/coordgen/CoordgenMinimizer.h |
| | | 28 | include/coordgen/sketcherMinimizer.h |
| | | 29 | include/coordgen/sketcherMinimizerAtom.h |
| | | 30 | include/coordgen/sketcherMinimizerBendInteraction.h |
| | | 31 | include/coordgen/sketcherMinimizerBond.h |
| | | 32 | include/coordgen/sketcherMinimizerClashInteraction.h |
| | | 33 | include/coordgen/sketcherMinimizerEZConstrainInteraction.h |
| | | 34 | include/coordgen/sketcherMinimizerFragment.h |
| | | 35 | include/coordgen/sketcherMinimizerInteraction.h |
| | | 36 | include/coordgen/sketcherMinimizerMarchingSquares.h |
| | | 37 | include/coordgen/sketcherMinimizerMaths.h |
| | | 38 | include/coordgen/sketcherMinimizerMolecule.h |
| | | 39 | include/coordgen/sketcherMinimizerResidue.h |
| | | 40 | include/coordgen/sketcherMinimizerResidueInteraction.h |
| | | 41 | include/coordgen/sketcherMinimizerRing.h |
| | | 42 | include/coordgen/sketcherMinimizerStretchInteraction.h |
20 | include/inchi/inchi_api.h | | 43 | include/inchi/inchi_api.h |
| | | 44 | include/maeparser/Buffer.hpp |
| | | 45 | include/maeparser/MaeBlock.hpp |
| | | 46 | include/maeparser/MaeConstants.hpp |
| | | 47 | include/maeparser/MaeParser.hpp |
| | | 48 | include/maeparser/MaeParserConfig.hpp |
| | | 49 | include/maeparser/Reader.hpp |
| | | 50 | include/maeparser/Writer.hpp |
| | | 51 | include/openbabel3/LBFGS.h |
| | | 52 | include/openbabel3/LBFGS/LineSearchBacktracking.h |
| | | 53 | include/openbabel3/LBFGS/LineSearchBracketing.h |
| | | 54 | include/openbabel3/LBFGS/LineSearchNocedalWright.h |
| | | 55 | include/openbabel3/LBFGS/Param.h |
21 | include/openbabel3/openbabel/alias.h | | 56 | include/openbabel3/openbabel/alias.h |
22 | include/openbabel3/openbabel/atom.h | | 57 | include/openbabel3/openbabel/atom.h |
23 | include/openbabel3/openbabel/babelconfig.h | | 58 | include/openbabel3/openbabel/babelconfig.h |
24 | include/openbabel3/openbabel/base.h | | 59 | include/openbabel3/openbabel/base.h |
25 | include/openbabel3/openbabel/bitvec.h | | 60 | include/openbabel3/openbabel/bitvec.h |
26 | include/openbabel3/openbabel/bond.h | | 61 | include/openbabel3/openbabel/bond.h |
27 | include/openbabel3/openbabel/bondtyper.h | | 62 | include/openbabel3/openbabel/bondtyper.h |
28 | include/openbabel3/openbabel/builder.h | | 63 | include/openbabel3/openbabel/builder.h |
29 | include/openbabel3/openbabel/canon.h | | 64 | include/openbabel3/openbabel/canon.h |
30 | include/openbabel3/openbabel/chains.h | | 65 | include/openbabel3/openbabel/chains.h |
31 | include/openbabel3/openbabel/chargemodel.h | | 66 | include/openbabel3/openbabel/chargemodel.h |
32 | include/openbabel3/openbabel/chemdrawcdx.h | | 67 | include/openbabel3/openbabel/chemdrawcdx.h |
33 | include/openbabel3/openbabel/conformersearch.h | | 68 | include/openbabel3/openbabel/conformersearch.h |
| @@ -93,225 +128,236 @@ include/openbabel3/openbabel/shared_ptr. | | | @@ -93,225 +128,236 @@ include/openbabel3/openbabel/shared_ptr. |
93 | include/openbabel3/openbabel/spectrophore.h | | 128 | include/openbabel3/openbabel/spectrophore.h |
94 | include/openbabel3/openbabel/stereo/bindings.h | | 129 | include/openbabel3/openbabel/stereo/bindings.h |
95 | include/openbabel3/openbabel/stereo/cistrans.h | | 130 | include/openbabel3/openbabel/stereo/cistrans.h |
96 | include/openbabel3/openbabel/stereo/squareplanar.h | | 131 | include/openbabel3/openbabel/stereo/squareplanar.h |
97 | include/openbabel3/openbabel/stereo/stereo.h | | 132 | include/openbabel3/openbabel/stereo/stereo.h |
98 | include/openbabel3/openbabel/stereo/tetrahedral.h | | 133 | include/openbabel3/openbabel/stereo/tetrahedral.h |
99 | include/openbabel3/openbabel/stereo/tetranonplanar.h | | 134 | include/openbabel3/openbabel/stereo/tetranonplanar.h |
100 | include/openbabel3/openbabel/stereo/tetraplanar.h | | 135 | include/openbabel3/openbabel/stereo/tetraplanar.h |
101 | include/openbabel3/openbabel/tautomer.h | | 136 | include/openbabel3/openbabel/tautomer.h |
102 | include/openbabel3/openbabel/text.h | | 137 | include/openbabel3/openbabel/text.h |
103 | include/openbabel3/openbabel/tokenst.h | | 138 | include/openbabel3/openbabel/tokenst.h |
104 | include/openbabel3/openbabel/typer.h | | 139 | include/openbabel3/openbabel/typer.h |
105 | include/openbabel3/openbabel/xml.h | | 140 | include/openbabel3/openbabel/xml.h |
| | | 141 | lib/cmake/coordgen-config-release.cmake |
| | | 142 | lib/cmake/coordgen-config.cmake |
| | | 143 | lib/cmake/maeparser-config-release.cmake |
| | | 144 | lib/cmake/maeparser-config.cmake |
106 | lib/cmake/openbabel3/OpenBabel3Config.cmake | | 145 | lib/cmake/openbabel3/OpenBabel3Config.cmake |
107 | lib/cmake/openbabel3/OpenBabel3ConfigVersion.cmake | | 146 | lib/cmake/openbabel3/OpenBabel3ConfigVersion.cmake |
108 | lib/cmake/openbabel3/OpenBabel3_EXPORTS-release.cmake | | 147 | lib/cmake/openbabel3/OpenBabel3_EXPORTS-release.cmake |
109 | lib/cmake/openbabel3/OpenBabel3_EXPORTS.cmake | | 148 | lib/cmake/openbabel3/OpenBabel3_EXPORTS.cmake |
| | | 149 | lib/libcoordgen.so |
| | | 150 | lib/libcoordgen.so.1 |
| | | 151 | lib/libcoordgen.so.1.4.0 |
110 | lib/libinchi.so | | 152 | lib/libinchi.so |
111 | lib/libinchi.so.0 | | 153 | lib/libinchi.so.0 |
112 | lib/libinchi.so.0.4.1 | | 154 | lib/libinchi.so.0.4.1 |
| | | 155 | lib/libmaeparser.so |
| | | 156 | lib/libmaeparser.so.1 |
| | | 157 | lib/libmaeparser.so.1.2.3 |
113 | lib/libopenbabel.so | | 158 | lib/libopenbabel.so |
114 | lib/libopenbabel.so.6 | | 159 | lib/libopenbabel.so.7 |
115 | lib/libopenbabel.so.6.0.0 | | 160 | lib/libopenbabel.so.7.0.0 |
116 | lib/openbabel/${PKGVERSION}/APIInterface.so | | 161 | lib/openbabel/3.1.0/APIInterface.so |
117 | lib/openbabel/${PKGVERSION}/CSRformat.so | | 162 | lib/openbabel/3.1.0/CSRformat.so |
118 | lib/openbabel/${PKGVERSION}/MCDLformat.so | | 163 | lib/openbabel/3.1.0/MCDLformat.so |
119 | lib/openbabel/${PKGVERSION}/MNAformat.so | | 164 | lib/openbabel/3.1.0/MNAformat.so |
120 | lib/openbabel/${PKGVERSION}/PQSformat.so | | 165 | lib/openbabel/3.1.0/PQSformat.so |
121 | lib/openbabel/${PKGVERSION}/abinitformat.so | | 166 | lib/openbabel/3.1.0/abinitformat.so |
122 | lib/openbabel/${PKGVERSION}/acesformat.so | | 167 | lib/openbabel/3.1.0/acesformat.so |
123 | lib/openbabel/${PKGVERSION}/acrformat.so | | 168 | lib/openbabel/3.1.0/acrformat.so |
124 | lib/openbabel/${PKGVERSION}/adfformat.so | | 169 | lib/openbabel/3.1.0/adfformat.so |
125 | lib/openbabel/${PKGVERSION}/alchemyformat.so | | 170 | lib/openbabel/3.1.0/alchemyformat.so |
126 | lib/openbabel/${PKGVERSION}/amberformat.so | | 171 | lib/openbabel/3.1.0/amberformat.so |
127 | lib/openbabel/${PKGVERSION}/aoforceformat.so | | 172 | lib/openbabel/3.1.0/aoforceformat.so |
128 | lib/openbabel/${PKGVERSION}/asciiformat.so | | 173 | lib/openbabel/3.1.0/asciiformat.so |
129 | lib/openbabel/${PKGVERSION}/balstformat.so | | 174 | lib/openbabel/3.1.0/balstformat.so |
130 | lib/openbabel/${PKGVERSION}/bgfformat.so | | 175 | lib/openbabel/3.1.0/bgfformat.so |
131 | lib/openbabel/${PKGVERSION}/boxformat.so | | 176 | lib/openbabel/3.1.0/boxformat.so |
132 | lib/openbabel/${PKGVERSION}/cacaoformat.so | | 177 | lib/openbabel/3.1.0/cacaoformat.so |
133 | lib/openbabel/${PKGVERSION}/cacheformat.so | | 178 | lib/openbabel/3.1.0/cacheformat.so |
134 | lib/openbabel/${PKGVERSION}/carformat.so | | 179 | lib/openbabel/3.1.0/carformat.so |
135 | lib/openbabel/${PKGVERSION}/castepformat.so | | 180 | lib/openbabel/3.1.0/castepformat.so |
136 | lib/openbabel/${PKGVERSION}/cccformat.so | | 181 | lib/openbabel/3.1.0/cccformat.so |
137 | lib/openbabel/${PKGVERSION}/cdxmlformat.so | | 182 | lib/openbabel/3.1.0/cdxmlformat.so |
138 | lib/openbabel/${PKGVERSION}/chem3dformat.so | | 183 | lib/openbabel/3.1.0/chem3dformat.so |
139 | lib/openbabel/${PKGVERSION}/chemdoodlejsonformat.so | | 184 | lib/openbabel/3.1.0/chemdoodlejsonformat.so |
140 | lib/openbabel/${PKGVERSION}/chemdrawcdx.so | | 185 | lib/openbabel/3.1.0/chemdrawcdx.so |
141 | lib/openbabel/${PKGVERSION}/chemdrawct.so | | 186 | lib/openbabel/3.1.0/chemdrawct.so |
142 | lib/openbabel/${PKGVERSION}/chemkinformat.so | | 187 | lib/openbabel/3.1.0/chemkinformat.so |
143 | lib/openbabel/${PKGVERSION}/chemtoolformat.so | | 188 | lib/openbabel/3.1.0/chemtoolformat.so |
144 | lib/openbabel/${PKGVERSION}/cifformat.so | | 189 | lib/openbabel/3.1.0/cifformat.so |
145 | lib/openbabel/${PKGVERSION}/cmlformat.so | | 190 | lib/openbabel/3.1.0/cmlformat.so |
146 | lib/openbabel/${PKGVERSION}/cmlreactformat.so | | 191 | lib/openbabel/3.1.0/cmlreactformat.so |
147 | lib/openbabel/${PKGVERSION}/cofformat.so | | 192 | lib/openbabel/3.1.0/cofformat.so |
148 | lib/openbabel/${PKGVERSION}/confabreport.so | | 193 | lib/openbabel/3.1.0/confabreport.so |
149 | lib/openbabel/${PKGVERSION}/copyformat.so | | 194 | lib/openbabel/3.1.0/copyformat.so |
150 | lib/openbabel/${PKGVERSION}/crkformat.so | | 195 | lib/openbabel/3.1.0/crkformat.so |
151 | lib/openbabel/${PKGVERSION}/crystal09format.so | | 196 | lib/openbabel/3.1.0/crystal09format.so |
152 | lib/openbabel/${PKGVERSION}/cssrformat.so | | 197 | lib/openbabel/3.1.0/cssrformat.so |
153 | lib/openbabel/${PKGVERSION}/daltonformat.so | | 198 | lib/openbabel/3.1.0/daltonformat.so |
154 | lib/openbabel/${PKGVERSION}/dlpolyformat.so | | 199 | lib/openbabel/3.1.0/dlpolyformat.so |
155 | lib/openbabel/${PKGVERSION}/dmolformat.so | | 200 | lib/openbabel/3.1.0/dmolformat.so |
156 | lib/openbabel/${PKGVERSION}/exyzformat.so | | 201 | lib/openbabel/3.1.0/exyzformat.so |
157 | lib/openbabel/${PKGVERSION}/fastaformat.so | | 202 | lib/openbabel/3.1.0/fastaformat.so |
158 | lib/openbabel/${PKGVERSION}/fastsearchformat.so | | 203 | lib/openbabel/3.1.0/fastsearchformat.so |
159 | lib/openbabel/${PKGVERSION}/fchkformat.so | | 204 | lib/openbabel/3.1.0/fchkformat.so |
160 | lib/openbabel/${PKGVERSION}/featformat.so | | 205 | lib/openbabel/3.1.0/featformat.so |
161 | lib/openbabel/${PKGVERSION}/fhformat.so | | 206 | lib/openbabel/3.1.0/fhformat.so |
162 | lib/openbabel/${PKGVERSION}/fhiaimsformat.so | | 207 | lib/openbabel/3.1.0/fhiaimsformat.so |
163 | lib/openbabel/${PKGVERSION}/fingerprintformat.so | | 208 | lib/openbabel/3.1.0/fingerprintformat.so |
164 | lib/openbabel/${PKGVERSION}/fpsformat.so | | 209 | lib/openbabel/3.1.0/fpsformat.so |
165 | lib/openbabel/${PKGVERSION}/freefracformat.so | | 210 | lib/openbabel/3.1.0/freefracformat.so |
166 | lib/openbabel/${PKGVERSION}/gamessformat.so | | 211 | lib/openbabel/3.1.0/gamessformat.so |
167 | lib/openbabel/${PKGVERSION}/gamessukformat.so | | 212 | lib/openbabel/3.1.0/gamessukformat.so |
168 | lib/openbabel/${PKGVERSION}/gausscubeformat.so | | 213 | lib/openbabel/3.1.0/gausscubeformat.so |
169 | lib/openbabel/${PKGVERSION}/gaussformat.so | | 214 | lib/openbabel/3.1.0/gaussformat.so |
170 | lib/openbabel/${PKGVERSION}/gausszmatformat.so | | 215 | lib/openbabel/3.1.0/gausszmatformat.so |
171 | lib/openbabel/${PKGVERSION}/ghemicalformat.so | | 216 | lib/openbabel/3.1.0/ghemicalformat.so |
172 | lib/openbabel/${PKGVERSION}/groformat.so | | 217 | lib/openbabel/3.1.0/groformat.so |
173 | lib/openbabel/${PKGVERSION}/gromos96format.so | | 218 | lib/openbabel/3.1.0/gromos96format.so |
174 | lib/openbabel/${PKGVERSION}/gulpformat.so | | 219 | lib/openbabel/3.1.0/gulpformat.so |
175 | lib/openbabel/${PKGVERSION}/hinformat.so | | 220 | lib/openbabel/3.1.0/hinformat.so |
176 | lib/openbabel/${PKGVERSION}/inchiformat.so | | 221 | lib/openbabel/3.1.0/inchiformat.so |
177 | lib/openbabel/${PKGVERSION}/jaguarformat.so | | 222 | lib/openbabel/3.1.0/jaguarformat.so |
178 | lib/openbabel/${PKGVERSION}/lmpdatformat.so | | 223 | lib/openbabel/3.1.0/lmpdatformat.so |
179 | lib/openbabel/${PKGVERSION}/lpmdformat.so | | 224 | lib/openbabel/3.1.0/lpmdformat.so |
180 | lib/openbabel/${PKGVERSION}/mdffformat.so | | 225 | lib/openbabel/3.1.0/maeformat.so |
181 | lib/openbabel/${PKGVERSION}/mdlformat.so | | 226 | lib/openbabel/3.1.0/mdffformat.so |
182 | lib/openbabel/${PKGVERSION}/mmcifformat.so | | 227 | lib/openbabel/3.1.0/mdlformat.so |
183 | lib/openbabel/${PKGVERSION}/mmodformat.so | | 228 | lib/openbabel/3.1.0/mmcifformat.so |
184 | lib/openbabel/${PKGVERSION}/mol2format.so | | 229 | lib/openbabel/3.1.0/mmodformat.so |
185 | lib/openbabel/${PKGVERSION}/moldenformat.so | | 230 | lib/openbabel/3.1.0/mol2format.so |
186 | lib/openbabel/${PKGVERSION}/molproformat.so | | 231 | lib/openbabel/3.1.0/moldenformat.so |
187 | lib/openbabel/${PKGVERSION}/molreport.so | | 232 | lib/openbabel/3.1.0/molproformat.so |
188 | lib/openbabel/${PKGVERSION}/mopacformat.so | | 233 | lib/openbabel/3.1.0/molreport.so |
189 | lib/openbabel/${PKGVERSION}/mpdformat.so | | 234 | lib/openbabel/3.1.0/mopacformat.so |
190 | lib/openbabel/${PKGVERSION}/mpqcformat.so | | 235 | lib/openbabel/3.1.0/mpdformat.so |
191 | lib/openbabel/${PKGVERSION}/msiformat.so | | 236 | lib/openbabel/3.1.0/mpqcformat.so |
192 | lib/openbabel/${PKGVERSION}/msmsformat.so | | 237 | lib/openbabel/3.1.0/msiformat.so |
193 | lib/openbabel/${PKGVERSION}/nulformat.so | | 238 | lib/openbabel/3.1.0/msmsformat.so |
194 | lib/openbabel/${PKGVERSION}/nwchemformat.so | | 239 | lib/openbabel/3.1.0/nulformat.so |
195 | lib/openbabel/${PKGVERSION}/opendxformat.so | | 240 | lib/openbabel/3.1.0/nwchemformat.so |
196 | lib/openbabel/${PKGVERSION}/orcaformat.so | | 241 | lib/openbabel/3.1.0/opendxformat.so |
197 | lib/openbabel/${PKGVERSION}/outformat.so | | 242 | lib/openbabel/3.1.0/orcaformat.so |
198 | lib/openbabel/${PKGVERSION}/painterformat.so | | 243 | lib/openbabel/3.1.0/outformat.so |
199 | lib/openbabel/${PKGVERSION}/pcmodelformat.so | | 244 | lib/openbabel/3.1.0/painterformat.so |
200 | lib/openbabel/${PKGVERSION}/pdbformat.so | | 245 | lib/openbabel/3.1.0/pcmodelformat.so |
201 | lib/openbabel/${PKGVERSION}/pdbqtformat.so | | 246 | lib/openbabel/3.1.0/pdbformat.so |
202 | lib/openbabel/${PKGVERSION}/plugin_charges.so | | 247 | lib/openbabel/3.1.0/pdbqtformat.so |
203 | lib/openbabel/${PKGVERSION}/plugin_descriptors.so | | 248 | lib/openbabel/3.1.0/plugin_charges.so |
204 | lib/openbabel/${PKGVERSION}/plugin_fingerprints.so | | 249 | lib/openbabel/3.1.0/plugin_descriptors.so |
205 | lib/openbabel/${PKGVERSION}/plugin_forcefields.so | | 250 | lib/openbabel/3.1.0/plugin_fingerprints.so |
206 | lib/openbabel/${PKGVERSION}/plugin_ops.so | | 251 | lib/openbabel/3.1.0/plugin_forcefields.so |
207 | lib/openbabel/${PKGVERSION}/png2format.so | | 252 | lib/openbabel/3.1.0/plugin_ops.so |
208 | lib/openbabel/${PKGVERSION}/pngformat.so | | 253 | lib/openbabel/3.1.0/png2format.so |
209 | lib/openbabel/${PKGVERSION}/pointcloudformat.so | | 254 | lib/openbabel/3.1.0/pngformat.so |
210 | lib/openbabel/${PKGVERSION}/posformat.so | | 255 | lib/openbabel/3.1.0/pointcloudformat.so |
211 | lib/openbabel/${PKGVERSION}/povrayformat.so | | 256 | lib/openbabel/3.1.0/posformat.so |
212 | lib/openbabel/${PKGVERSION}/pqrformat.so | | 257 | lib/openbabel/3.1.0/povrayformat.so |
213 | lib/openbabel/${PKGVERSION}/pubchem.so | | 258 | lib/openbabel/3.1.0/pqrformat.so |
214 | lib/openbabel/${PKGVERSION}/pubchemjsonformat.so | | 259 | lib/openbabel/3.1.0/pubchem.so |
215 | lib/openbabel/${PKGVERSION}/pwscfformat.so | | 260 | lib/openbabel/3.1.0/pubchemjsonformat.so |
216 | lib/openbabel/${PKGVERSION}/qchemformat.so | | 261 | lib/openbabel/3.1.0/pwscfformat.so |
217 | lib/openbabel/${PKGVERSION}/reportformat.so | | 262 | lib/openbabel/3.1.0/qchemformat.so |
218 | lib/openbabel/${PKGVERSION}/rinchiformat.so | | 263 | lib/openbabel/3.1.0/reportformat.so |
219 | lib/openbabel/${PKGVERSION}/rsmiformat.so | | 264 | lib/openbabel/3.1.0/rinchiformat.so |
220 | lib/openbabel/${PKGVERSION}/rxnformat.so | | 265 | lib/openbabel/3.1.0/rsmiformat.so |
221 | lib/openbabel/${PKGVERSION}/shelxformat.so | | 266 | lib/openbabel/3.1.0/rxnformat.so |
222 | lib/openbabel/${PKGVERSION}/siestaformat.so | | 267 | lib/openbabel/3.1.0/shelxformat.so |
223 | lib/openbabel/${PKGVERSION}/smilesformat.so | | 268 | lib/openbabel/3.1.0/siestaformat.so |
224 | lib/openbabel/${PKGVERSION}/smileyformat.so | | 269 | lib/openbabel/3.1.0/smilesformat.so |
225 | lib/openbabel/${PKGVERSION}/stlformat.so | | 270 | lib/openbabel/3.1.0/smileyformat.so |
226 | lib/openbabel/${PKGVERSION}/svgformat.so | | 271 | lib/openbabel/3.1.0/stlformat.so |
227 | lib/openbabel/${PKGVERSION}/textformat.so | | 272 | lib/openbabel/3.1.0/svgformat.so |
228 | lib/openbabel/${PKGVERSION}/thermoformat.so | | 273 | lib/openbabel/3.1.0/textformat.so |
229 | lib/openbabel/${PKGVERSION}/tinkerformat.so | | 274 | lib/openbabel/3.1.0/thermoformat.so |
230 | lib/openbabel/${PKGVERSION}/titleformat.so | | 275 | lib/openbabel/3.1.0/tinkerformat.so |
231 | lib/openbabel/${PKGVERSION}/turbomoleformat.so | | 276 | lib/openbabel/3.1.0/titleformat.so |
232 | lib/openbabel/${PKGVERSION}/unichemformat.so | | 277 | lib/openbabel/3.1.0/turbomoleformat.so |
233 | lib/openbabel/${PKGVERSION}/vaspformat.so | | 278 | lib/openbabel/3.1.0/unichemformat.so |
234 | lib/openbabel/${PKGVERSION}/viewmolformat.so | | 279 | lib/openbabel/3.1.0/vaspformat.so |
235 | lib/openbabel/${PKGVERSION}/xedformat.so | | 280 | lib/openbabel/3.1.0/viewmolformat.so |
236 | lib/openbabel/${PKGVERSION}/xmlformat.so | | 281 | lib/openbabel/3.1.0/wlnformat.so |
237 | lib/openbabel/${PKGVERSION}/xsfformat.so | | 282 | lib/openbabel/3.1.0/xedformat.so |
238 | lib/openbabel/${PKGVERSION}/xyzformat.so | | 283 | lib/openbabel/3.1.0/xmlformat.so |
239 | lib/openbabel/${PKGVERSION}/yasaraformat.so | | 284 | lib/openbabel/3.1.0/xsfformat.so |
240 | lib/openbabel/${PKGVERSION}/zindoformat.so | | 285 | lib/openbabel/3.1.0/xyzformat.so |
| | | 286 | lib/openbabel/3.1.0/yasaraformat.so |
| | | 287 | lib/openbabel/3.1.0/zindoformat.so |
241 | lib/pkgconfig/openbabel-3.pc | | 288 | lib/pkgconfig/openbabel-3.pc |
242 | man/man1/babel.1 | | | |
243 | man/man1/obabel.1 | | 289 | man/man1/obabel.1 |
244 | man/man1/obchiral.1 | | 290 | man/man1/obchiral.1 |
245 | man/man1/obconformer.1 | | 291 | man/man1/obconformer.1 |
246 | man/man1/obdistgen.1 | | 292 | man/man1/obdistgen.1 |
247 | man/man1/obenergy.1 | | 293 | man/man1/obenergy.1 |
248 | man/man1/obfit.1 | | 294 | man/man1/obfit.1 |
249 | man/man1/obgen.1 | | 295 | man/man1/obgen.1 |
250 | man/man1/obgrep.1 | | 296 | man/man1/obgrep.1 |
251 | man/man1/obgui.1 | | 297 | man/man1/obgui.1 |
252 | man/man1/obminimize.1 | | 298 | man/man1/obminimize.1 |
253 | man/man1/obprobe.1 | | 299 | man/man1/obprobe.1 |
254 | man/man1/obprop.1 | | 300 | man/man1/obprop.1 |
255 | man/man1/obrms.1 | | 301 | man/man1/obrms.1 |
256 | man/man1/obrotamer.1 | | 302 | man/man1/obrotamer.1 |
257 | man/man1/obrotate.1 | | 303 | man/man1/obrotate.1 |
258 | man/man1/obspectrophore.1 | | 304 | man/man1/obspectrophore.1 |
259 | man/man1/obsym.1 | | 305 | man/man1/obsym.1 |
260 | man/man1/obtautomer.1 | | 306 | man/man1/obtautomer.1 |
261 | man/man1/obthermo.1 | | 307 | man/man1/obthermo.1 |
262 | man/man1/roundtrip.1 | | 308 | man/man1/roundtrip.1 |
263 | share/openbabel/${PKGVERSION}/MACCS.txt | | 309 | share/openbabel/3.1.0/MACCS.txt |
264 | share/openbabel/${PKGVERSION}/SMARTS_InteLigand.txt | | 310 | share/openbabel/3.1.0/SMARTS_InteLigand.txt |
265 | share/openbabel/${PKGVERSION}/UFF.prm | | 311 | share/openbabel/3.1.0/UFF.prm |
266 | share/openbabel/${PKGVERSION}/atomization-energies.txt | | 312 | share/openbabel/3.1.0/atomization-energies.txt |
267 | share/openbabel/${PKGVERSION}/atomtyp.txt | | 313 | share/openbabel/3.1.0/atomtyp.txt |
268 | share/openbabel/${PKGVERSION}/babel_povray3.inc | | 314 | share/openbabel/3.1.0/babel_povray3.inc |
269 | share/openbabel/${PKGVERSION}/bondtyp.txt | | 315 | share/openbabel/3.1.0/bondtyp.txt |
270 | share/openbabel/${PKGVERSION}/eem.txt | | 316 | share/openbabel/3.1.0/eem.txt |
271 | share/openbabel/${PKGVERSION}/eem2015ba.txt | | 317 | share/openbabel/3.1.0/eem2015ba.txt |
272 | share/openbabel/${PKGVERSION}/eem2015bm.txt | | 318 | share/openbabel/3.1.0/eem2015bm.txt |
273 | share/openbabel/${PKGVERSION}/eem2015bn.txt | | 319 | share/openbabel/3.1.0/eem2015bn.txt |
274 | share/openbabel/${PKGVERSION}/eem2015ha.txt | | 320 | share/openbabel/3.1.0/eem2015ha.txt |
275 | share/openbabel/${PKGVERSION}/eem2015hm.txt | | 321 | share/openbabel/3.1.0/eem2015hm.txt |
276 | share/openbabel/${PKGVERSION}/eem2015hn.txt | | 322 | share/openbabel/3.1.0/eem2015hn.txt |
277 | share/openbabel/${PKGVERSION}/eqeqIonizations.txt | | 323 | share/openbabel/3.1.0/eqeqIonizations.txt |
278 | share/openbabel/${PKGVERSION}/gaff.dat | | 324 | share/openbabel/3.1.0/gaff.dat |
279 | share/openbabel/${PKGVERSION}/gaff.prm | | 325 | share/openbabel/3.1.0/gaff.prm |
280 | share/openbabel/${PKGVERSION}/ghemical.prm | | 326 | share/openbabel/3.1.0/ghemical.prm |
281 | share/openbabel/${PKGVERSION}/logp.txt | | 327 | share/openbabel/3.1.0/logp.txt |
282 | share/openbabel/${PKGVERSION}/mmff94.ff | | 328 | share/openbabel/3.1.0/mmff94.ff |
283 | share/openbabel/${PKGVERSION}/mmff94s.ff | | 329 | share/openbabel/3.1.0/mmff94s.ff |
284 | share/openbabel/${PKGVERSION}/mmffang.par | | 330 | share/openbabel/3.1.0/mmffang.par |
285 | share/openbabel/${PKGVERSION}/mmffbndk.par | | 331 | share/openbabel/3.1.0/mmffbndk.par |
286 | share/openbabel/${PKGVERSION}/mmffbond.par | | 332 | share/openbabel/3.1.0/mmffbond.par |
287 | share/openbabel/${PKGVERSION}/mmffchg.par | | 333 | share/openbabel/3.1.0/mmffchg.par |
288 | share/openbabel/${PKGVERSION}/mmffdef.par | | 334 | share/openbabel/3.1.0/mmffdef.par |
289 | share/openbabel/${PKGVERSION}/mmffdfsb.par | | 335 | share/openbabel/3.1.0/mmffdfsb.par |
290 | share/openbabel/${PKGVERSION}/mmffoop.par | | 336 | share/openbabel/3.1.0/mmffoop.par |
291 | share/openbabel/${PKGVERSION}/mmffpbci.par | | 337 | share/openbabel/3.1.0/mmffpbci.par |
292 | share/openbabel/${PKGVERSION}/mmffprop.par | | 338 | share/openbabel/3.1.0/mmffprop.par |
293 | share/openbabel/${PKGVERSION}/mmffs_oop.par | | 339 | share/openbabel/3.1.0/mmffs_oop.par |
294 | share/openbabel/${PKGVERSION}/mmffs_tor.par | | 340 | share/openbabel/3.1.0/mmffs_tor.par |
295 | share/openbabel/${PKGVERSION}/mmffstbn.par | | 341 | share/openbabel/3.1.0/mmffstbn.par |
296 | share/openbabel/${PKGVERSION}/mmfftor.par | | 342 | share/openbabel/3.1.0/mmfftor.par |
297 | share/openbabel/${PKGVERSION}/mmffvdw.par | | 343 | share/openbabel/3.1.0/mmffvdw.par |
298 | share/openbabel/${PKGVERSION}/mpC.txt | | 344 | share/openbabel/3.1.0/mpC.txt |
299 | share/openbabel/${PKGVERSION}/mr.txt | | 345 | share/openbabel/3.1.0/mr.txt |
300 | share/openbabel/${PKGVERSION}/patterns.txt | | 346 | share/openbabel/3.1.0/patterns.txt |
301 | share/openbabel/${PKGVERSION}/phmodel.txt | | 347 | share/openbabel/3.1.0/phmodel.txt |
302 | share/openbabel/${PKGVERSION}/plugindefines.txt | | 348 | share/openbabel/3.1.0/plugindefines.txt |
303 | share/openbabel/${PKGVERSION}/psa.txt | | 349 | share/openbabel/3.1.0/psa.txt |
304 | share/openbabel/${PKGVERSION}/qeq.txt | | 350 | share/openbabel/3.1.0/qeq.txt |
305 | share/openbabel/${PKGVERSION}/resdata.txt | | 351 | share/openbabel/3.1.0/resdata.txt |
306 | share/openbabel/${PKGVERSION}/rigid-fragments-index.txt | | 352 | share/openbabel/3.1.0/rigid-fragments-index.txt |
307 | share/openbabel/${PKGVERSION}/rigid-fragments.txt | | 353 | share/openbabel/3.1.0/rigid-fragments.txt |
308 | share/openbabel/${PKGVERSION}/ring-fragments.txt | | 354 | share/openbabel/3.1.0/ring-fragments.txt |
309 | share/openbabel/${PKGVERSION}/ringtyp.txt | | 355 | share/openbabel/3.1.0/ringtyp.txt |
310 | share/openbabel/${PKGVERSION}/space-groups.txt | | 356 | share/openbabel/3.1.0/space-groups.txt |
311 | share/openbabel/${PKGVERSION}/splash.png | | 357 | share/openbabel/3.1.0/splash.png |
312 | share/openbabel/${PKGVERSION}/superatom.txt | | 358 | share/openbabel/3.1.0/superatom.txt |
313 | share/openbabel/${PKGVERSION}/svgformat.script | | 359 | share/openbabel/3.1.0/svgformat.script |
314 | share/openbabel/${PKGVERSION}/templates.sdf | | 360 | share/openbabel/3.1.0/templates.sdf |
315 | share/openbabel/${PKGVERSION}/torlib.txt | | 361 | share/openbabel/3.1.0/torlib.txt |
316 | share/openbabel/${PKGVERSION}/torsion.txt | | 362 | share/openbabel/3.1.0/torsion.txt |
317 | share/openbabel/${PKGVERSION}/types.txt | | 363 | share/openbabel/3.1.0/types.txt |