Path |
Digest |
Size |
moleculekit/__init__.py |
sha256=b35Btd6-4MUgAGE1CwrG3_dkPxOSXRJhbRlYMiyJh0U
|
315 |
moleculekit/align.py |
sha256=zL62jDTP9UkfDRr3Ja3fNQHhgVQ9kOknAtH0VCbAcyk
|
1921 |
moleculekit/config.py |
sha256=JvJJcADVSWGLScOAAvdtTD55qLHZO7cnuz8XwMEcF4c
|
1142 |
moleculekit/dihedral.py |
sha256=DPCoWhdZEjBRi1mGckBIn7HueI1EUqAPm5Hg0wh-MVY
|
3551 |
moleculekit/home.py |
sha256=oaWgHDKarPt8DrcI7bBM-QFC5Kyps3zz6At1C6QCFVs
|
1523 |
moleculekit/logging.ini |
sha256=MRKIQaIJl8bJcFMHMCY4La6FGX3hnw-1kjDG1uap6ic
|
428 |
moleculekit/molecule.py |
sha256=__1DT6us_bL5OS4tFPHqOCOg0XeFgPWrayKOBfN_ZMg
|
100684 |
moleculekit/periodictable.py |
sha256=7bSJn5xZLPEG2npUPqH4zIjzyiYMJAFZacvqckOJOeA
|
12877 |
moleculekit/rcsb.py |
sha256=xDH7ScFCtw9OUmIlUSFLKp-t6t7XScr-VZEoYFAzAMA
|
2300 |
moleculekit/rdkitintegration.py |
sha256=M6xuYHjvqSZvjpQUKKn6uhrOGMKC4uCdfT2tcsHgTAQ
|
4350 |
moleculekit/readers.py |
sha256=7XbwyNM0inOa5aRoTyvramfTCaLJfpProHL0XAiqt80
|
97831 |
moleculekit/support.py |
sha256=7ZCYa-BnlOKS-QluLFZyXFIBNO0FmlxpJY--n2pYXXU
|
2207 |
moleculekit/util.py |
sha256=NwWD5P9sGL7A42YQWYeG-uiJ5zP2mZyjQT-1zlfWHk8
|
23795 |
moleculekit/version.py |
sha256=FUx8rx9mQXwFEFPYfLFTHmvZ2YTXhsdZ6SZuz6ETRQE
|
199 |
moleculekit/vmd_wrapper |
sha256=psGM-lyDtPeyCW0EtNt5kwplmM911f3sXlK1f7Pje-U
|
1957 |
moleculekit/vmdgraphics.py |
sha256=iKoMoGwu2NWm91D-PRFKvUWyPA12trI0NYTdcXRphks
|
13324 |
moleculekit/vmdparser.py |
sha256=LhWh1_pTknRt5SHTjrchdwZLt610i_csjEosRjaYh_E
|
8313 |
moleculekit/vmdviewer.py |
sha256=52YQ-z98lBAKIigbhm1V7mq6Ftv4HeUgsQ21FCcAuT0
|
12206 |
moleculekit/wrap.py |
sha256=re6ld_O_foBoXPV3104sqChp6UKicUIIGSko3CaLR3Q
|
3068 |
moleculekit/writers.py |
sha256=ZuAkFqIq0asLYhTduit-oTPoZIMMSxKPyuM0frZDYs0
|
30510 |
moleculekit/lib/Darwin/dist_ext.so |
sha256=VMSgM0rP5pEfPjZpInR9VSuCLiN5P7Q-92lFnHLTZ4w
|
8664 |
moleculekit/lib/Darwin/liblicense.so |
sha256=U36MeAekvk1XuO-XmUQEJmtiDWS8H18W3qxcs0mmAQ8
|
5048 |
moleculekit/lib/Darwin/libvmdparser.so |
sha256=dBQNcaTrFfCsU9nmhHqUwz_qBNjLX3rrwvRZ8Hj0eOI
|
286024 |
moleculekit/lib/Darwin/libxtc.so |
sha256=TSCiu_x1rqLX_-PzhSnXXGFiAj47PpdmsSUhpd4js1k
|
65440 |
moleculekit/lib/Darwin/mindist_ext.so |
sha256=u_2cz62aDs9q92qHT-fOp0IN9IJvbfu7HvnJELsKigQ
|
8736 |
moleculekit/lib/Darwin/occupancy_ext.so |
sha256=JTQy8K7MeUg4-SpiDXYCa1f_uGT6QzxixxYiWw6ffH4
|
9104 |
moleculekit/lib/Darwin/tmalign.so |
sha256=w9hMYohRV56SqlXPZvlzJ6akOeHbagNj_wkN715IWLc
|
121380 |
moleculekit/lib/Linux/dist_ext.so |
sha256=UgxmBdsvFs40dqY4raYVtq5wb0v-MeylwWzKqjAMj0E
|
13440 |
moleculekit/lib/Linux/libvmdparser.so |
sha256=hMi9oVW-GVoSUnMXsIFs-LfCFpDVT4Uo_9HmSragrDM
|
1151879 |
moleculekit/lib/Linux/libxtc.so |
sha256=jJU7Uz8JSjPwvf9yFuTaeJh_XHjxExV_nAItWOLUzjA
|
180451 |
moleculekit/lib/Linux/mindist_ext.so |
sha256=h96MOsBXs1sOplZRMoCzJP1nCEQtPwLnnbFFGwL9GUQ
|
14307 |
moleculekit/lib/Linux/occupancy_ext.so |
sha256=p5zb9BRW9Z_W_8FFGtrdsVuac8BiDX9rx4dGXNVAVI8
|
17441 |
moleculekit/lib/Linux/tmalign.so |
sha256=QAVtBXUx0l1KlSyTe1ni_nIDGOj58V_dzW8SL48a2-0
|
448078 |
moleculekit/lib/Windows/libgcc_s_seh-1.dll |
sha256=lI0jU42Ws0pPwI9Odll4Gr5qD1_sZILRWZmhM642adA
|
562954 |
moleculekit/lib/Windows/libstdc++-6.dll |
sha256=IIQ85ny9RwbGcIA_HliCBgURixIaqaRFC2-l9XnKank
|
15477046 |
moleculekit/lib/Windows/psprolib.dll |
sha256=Rrcic4LEHZEBNbqdG-hMC9gT0P7GFqDWasN5tIbGcC4
|
390656 |
moleculekit/pdbx/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
moleculekit/pdbx/reader/PdbxContainers.py |
sha256=DmwgGShYiZP60o3rhllghmwHJA3nHjLbUS4XMLvbQz4
|
28910 |
moleculekit/pdbx/reader/PdbxParser.py |
sha256=zhbjOyDmQMfS98U_oorf9uAk8KrtDv9snGAlieucXKs
|
22825 |
moleculekit/pdbx/reader/PdbxReader.py |
sha256=0QmlOS1QVGSpByIic-ZWu-b7kXYaJkLL_DM4LNb0PUs
|
16770 |
moleculekit/pdbx/reader/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
moleculekit/pdbx/writer/PdbxWriter.py |
sha256=yVnJvmdfM7ffQrItCw6SetvFeWbgPrPouYmZXKY6Fb4
|
6930 |
moleculekit/pdbx/writer/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
moleculekit/projections/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
moleculekit/projections/metriccoordinate.py |
sha256=-q72uETm_zSCkOdZZ9VIPoUleasSWwJjnV5VjCs5R5U
|
7990 |
moleculekit/projections/metricdihedral.py |
sha256=R4mbU6QtRH4Ui7qYAQWI__eWVejxdNNxBFJ8HMoJd-c
|
31482 |
moleculekit/projections/metricdistance.py |
sha256=s7sviQonED0zrMAr594X30Z5yMSoZTU1ZzVHjfla06c
|
29557 |
moleculekit/projections/metricfluctuation.py |
sha256=IAGKwCSQFsdTmqFQK0-gOTLj837b_hUwkvdxagpW1FM
|
11100 |
moleculekit/projections/metricplumed2.py |
sha256=ZUR0O_k4n5TFAErIRNeTmTi6i-4BX9HpKwQo1VVoYNE
|
27325 |
moleculekit/projections/metricrmsd.py |
sha256=QjSOg51jNGZNPwdAuNf1OiNfCCssXWRMPlve6nft308
|
6840 |
moleculekit/projections/metricsasa.py |
sha256=RRFTBCK1FhuUrWuPRf6_Zb4NiBBQ1XXC5J_QAgUs3ms
|
11234 |
moleculekit/projections/metricsecondarystructure.py |
sha256=YQaXpoeIZ5RgatTeNnBn9MjkL39E7dYsPwYalkl7laU
|
10428 |
moleculekit/projections/metricshell.py |
sha256=OpOgOERFpPtO-1M-wLpHCQMJCrUOcB45gTdmcLkqeHY
|
8529 |
moleculekit/projections/metricsphericalcoordinate.py |
sha256=PzwGDGNS_iyPGoznzCoZ9_SSiJB_lnJJApNqML6OEM4
|
6051 |
moleculekit/projections/metrictmscore.py |
sha256=Q2ceOjn45lA6kGeULeyyjbn74IkQy6LMPUa-jgx3Vys
|
4390 |
moleculekit/projections/projection.py |
sha256=ceN9QeSGfWly21fqsiN7QDxHmvZtnnzAvP29s0pf94k
|
1230 |
moleculekit/projections/util.py |
sha256=U5oYiKSGC3PPbdWB6KwAUhBJuZl0UUGIx1h2K9az85w
|
7217 |
moleculekit/smallmol/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
moleculekit/smallmol/smallmol.py |
sha256=9LDbTi7i0akKWMUJNOtJdz4h_ALYoiFhjKKoujwhqcI
|
33085 |
moleculekit/smallmol/smallmollib.py |
sha256=f2Z-9uuXWU5BGssxuupZGdQYrsGgGPbHSmQFY9HsL3I
|
13736 |
moleculekit/smallmol/test_smallmol.py |
sha256=mvWYLhYPjw2dea9nG6Cm7NBgMO4PXrD0eZPFIkffC_E
|
10301 |
moleculekit/smallmol/test_smallmollib.py |
sha256=L3QuB2rQpUedHo3fU_vvcaPW0zxUvchOqVQOenz1ezQ
|
5831 |
moleculekit/smallmol/util.py |
sha256=jJJsmTTkyBy2EwPkrsJdIgmm3KUxEW2AKQxVV5huRCw
|
12640 |
moleculekit/smallmol/tools/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
moleculekit/smallmol/tools/clustering.py |
sha256=JyH4syhLsFpT8bNz9fnaLxUSRXVdcJbiCgVavEvzcP8
|
12251 |
moleculekit/smallmol/tools/molvstautomer.py |
sha256=mKXxQk5NUNy5M8BhKke04LbeETWPpmEt5eTVNk62BCs
|
15120 |
moleculekit/smallmol/tools/restrainedembed.py |
sha256=oT43GWFLAXmudeN0i1f2PtSehpygrNmk8DDJMNlcQn8
|
1873 |
moleculekit/smallmol/tools/tautomers.py |
sha256=g_8ILPaiWIRf0n81kJQ20fal_JJQGrEcdRCpr-eLvbs
|
18987 |
moleculekit/smallmol/tools/test_tools.py |
sha256=uCOSq6miUYOrQ4ipRt6rhPdXuqDoXvA3vBNm4cKBGZk
|
8909 |
moleculekit/tools/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
moleculekit/tools/atomtyper.py |
sha256=M6toKMvHeMPD2mGCbjc3eQyvpGdvsbmMa7Y3G2l2hOI
|
15263 |
moleculekit/tools/autosegment.py |
sha256=klGRWKrJkDPc9pOCmnVL0kbHbMJp_4OwmL9Z2L9vE9A
|
12319 |
moleculekit/tools/crystalpacking.py |
sha256=As2MmEPa6vgciQSWG0lZcZc9xyWlStQGYXD6fzJNoRw
|
9500 |
moleculekit/tools/docking.py |
sha256=Bwwe5x81XsTkh71_mA2LAB9HJMOi8aOT3t8fGncLAjs
|
7450 |
moleculekit/tools/graphalignment.py |
sha256=Si_bvB_IZa19k8NgqvTIozt6KbTuFDIY23LIAbzjSqI
|
5661 |
moleculekit/tools/hhblitsprofile.py |
sha256=uzCUWG_XtDQIYcPoxXrm72wtVKLMI7b5e7Fw6RkBR3I
|
3947 |
moleculekit/tools/moleculechecks.py |
sha256=EFZ7ZTtgFEir6pHBs2ewnMOXuoynxW-KGrtK7hQeQUA
|
5060 |
moleculekit/tools/preparation.py |
sha256=LZgGZV_iAD4EEPyHsUBdKEss-Ky51nQ5QkYIwa9Wgh4
|
18487 |
moleculekit/tools/preparationdata.py |
sha256=GlXLftNt0GzGvMsF4MZ-AZwGoZwJAD-usE00LG6__Is
|
29054 |
moleculekit/tools/sequencestructuralalignment.py |
sha256=ihWI7_y_YODoioWoNPNmjS5drgSKokQZH_x8GNZl3xg
|
6108 |
moleculekit/tools/voxeldescriptors.py |
sha256=CI4yQXoAROdhaV8Ybg-XOoeO8rRokjzvO6LIC4EwTTo
|
27240 |
moleculekit-0.6.5.dist-info/LICENSE |
sha256=TJ_bTaKQBxJn-dIe169bG0UvVZqwh03NWYE_yVXonRE
|
2852 |
moleculekit-0.6.5.dist-info/METADATA |
sha256=B0fUnSETTX2XkRBbQn3Pv8rr6gEx6ERMBIN_zmEOvzg
|
3866 |
moleculekit-0.6.5.dist-info/WHEEL |
sha256=EVRjI69F5qVjm_YgqcTXPnTAv3BfSUr0WVAHuSP3Xoo
|
92 |
moleculekit-0.6.5.dist-info/top_level.txt |
sha256=YbXVtl9uqP--6n1mVoa6AGfOXxCBFyDY9xhSovX8tV4
|
12 |
moleculekit-0.6.5.dist-info/RECORD |
— |
— |