| Path |
Digest |
Size |
| dbstep/Dbstep.py |
sha256=Hfc3ATAY503Jk6R02tlrF909nLpLXxmVygvOsjT0n7s
|
26656 |
| dbstep/__init__.py |
sha256=FJP_FcD6S6yhpceSsVRZV0PL8-Iv5jwfe6KhAsR6DUk
|
167 |
| dbstep/__main__.py |
sha256=xBkb8Bo3P6HDEep6C1Mh8oN-8g5hAAkfVpRPV2EkGoI
|
407 |
| dbstep/calculator.py |
sha256=aofDOwphxUT2bW406eN3V1gn1Xw_UCESCnXlDOgxqZ0
|
6173 |
| dbstep/constants.py |
sha256=Fw6NJ_KW3MWMf6aCozEXrWFNoyllKYwE1ztlANAf0XI
|
2022 |
| dbstep/graph.py |
sha256=yHo3ToaRB7xeLX1b6r5gHS5WgIJEOKTVuqzfFDeNdbA
|
7621 |
| dbstep/mcgowan.csv |
sha256=iFmKDGC3pGqSCxscNUv3JXYbtT_M4atOjSDzVzDcd28
|
2218 |
| dbstep/parse_data.py |
sha256=yTfVqVgzRnImgTJzCdIhgJYWf1IO9m-eXGPUul-_Bb8
|
10620 |
| dbstep/sterics.py |
sha256=MPjNihBtjUMr4POl5DKErlKjVPpdHwDCrsR1FwvD-IQ
|
15762 |
| dbstep/writer.py |
sha256=ICdFfCr4T-urKZhs29flyCrdYQ4i4WP28O6w3LfSiAQ
|
7132 |
| dbstep/examples/1Nap.xyz |
sha256=x1qYg8-Ch9BAAFolMFxCo2vRAuLw7Wb6uY0PwPM99LY
|
351 |
| dbstep/examples/1Nap_steric.py |
sha256=ZHp_OPL7e5dPL1lJVJrDIoVhl6JCW1T4LVif0Gk6C48
|
1878 |
| dbstep/examples/1Nap_transform.xyz |
sha256=R5Ptiry1IYOQQ3YGLVbpLl_JUB2SaquBUAaNaQ0Tvp0
|
691 |
| dbstep/examples/35diMePh.xyz |
sha256=_zH1Ux1JB9bxxY960NfKV0g57k2idQw-QD9V95NlLeg
|
922 |
| dbstep/examples/4ClPh.xyz |
sha256=Z8lUrI3HeMK4w4LOWOVXEwmBVn0pJ8UYMJJYN5R9PCs
|
625 |
| dbstep/examples/4MeOPh.xyz |
sha256=f-Yl3HOn01TnfPzU0RGHVQVkC3BtLwQeH2ycfquwgc8
|
822 |
| dbstep/examples/4MePh.xyz |
sha256=8-8Sn_Tr5LZNlnmk_tQ0ZiYquORTN1muLLZUJqdOYYI
|
772 |
| dbstep/examples/Ad.xyz |
sha256=p61qsA7kRiuKgaBTaLPC19RAlyPOwZlaSlZoUxHsFT8
|
1308 |
| dbstep/examples/Ad_steric.py |
sha256=SYIhGqmE1Vn7lElIIN1Z7XGldxuthsHpd3lY7gOxsKY
|
1670 |
| dbstep/examples/Ad_transform.xyz |
sha256=GXGke5_ZvZv0ptE-HAanaT2nx_cWl6OlfthGHgTuwKc
|
955 |
| dbstep/examples/Benchmark.csv |
sha256=BmU1eULRCDdGPLAKyH5TxbMY7XAnvZkzbMOxEjhvY3g
|
1246 |
| dbstep/examples/Bn.xyz |
sha256=7WKiDGAo08wpnxglVkxJjXmuJysOUXnH2oFmQYqKiGg
|
769 |
| dbstep/examples/CEt3.xyz |
sha256=mC9OPfMJdHAzIvpDpIfPtS5sfOuIxajoS6Fk58g0Xro
|
1163 |
| dbstep/examples/CH2iPr.xyz |
sha256=QnldDQm3MCHhXCAwW_quVinG_URjB22tYyjY_BW90lQ
|
724 |
| dbstep/examples/CH2tBu.xyz |
sha256=Y6s9PInaePwhSi_6n9n5IyNpxOBSM7CR4UoKxAs3iPA
|
871 |
| dbstep/examples/CHEt2.xyz |
sha256=cmnib6yKpcvmcNVGoj2zdP7rARmGhYAE_OnhLITx-Xs
|
870 |
| dbstep/examples/CHPr2.xyz |
sha256=cV6iD0BFr7yVle31XWLG3PBK9PZtdZ0xg_71ID7zt6U
|
1164 |
| dbstep/examples/CHiPr2.xyz |
sha256=xkHBxOZx_k_wSuTqlahN0bYYaTz-JVOhWWv0u3DXSTs
|
1165 |
| dbstep/examples/DBLOOP |
sha256=adbjnRbmJs9g4S9WkPa2vCEXzcK45sZ7AKT9jZIho5w
|
110 |
| dbstep/examples/Et.xyz |
sha256=k_OfbrAubSK1ING1A12Lb7TyP6lk-U-Y2iHlMFeNBZ0
|
164 |
| dbstep/examples/H.xyz |
sha256=z9EYayIdY1CQOW8NKF4X8mhLc3sUh2LMXKYUXihzGyI
|
130 |
| dbstep/examples/Me.xyz |
sha256=jG5UfdCtWduD-tzM216QtcbE3Yuyt8UKXfZWVsRTVsM
|
108 |
| dbstep/examples/Ph.xyz |
sha256=H0ZuirnVWeFXrxbO3Q40v7Wq0jyPZfgbESTPqDfgyNk
|
622 |
| dbstep/examples/Untitled.ipynb |
sha256=KVxJ1-LngoTBY8wsYjoFKtHCBVWeNg3St4fDco41FHI
|
6136 |
| dbstep/examples/cHex.xyz |
sha256=b8czskgrEStBzAGLbms64eu3hyqkmdx8ezrYV7XcI9Y
|
918 |
| dbstep/examples/iPr.xyz |
sha256=Fo4bBn6X-fUIpMs1pcTUhWmMrcmMTd1tHbkRq3yrfWM
|
574 |
| dbstep/examples/nBu.xyz |
sha256=Y30Hr2ahxiGr7OrgoYMCKC942Nlb3GulazEMuzmeWbs
|
246 |
| dbstep/examples/nPr.xyz |
sha256=mY-B9e33h-h6Pb_zc-fR8ity7V6OnD-o_Evi2dMZYKk
|
574 |
| dbstep/examples/smiles.txt |
sha256=xNQE9x0AjU3mQ6ob9tep3aEKlPkQflUCS1HXLCgLSE0
|
64 |
| dbstep/examples/tBu.xyz |
sha256=oXMa0BYE2mCHO4gW6S2Efq4Pe9vNL3Tl-h84a7vsSU0
|
721 |
| dbstep/examples/.ipynb_checkpoints/Untitled-checkpoint.ipynb |
sha256=SmK2imM9ecU6b9iJPo6kLc8rmoo-kHsbmGFmHwTyFRc
|
72 |
| dbstep-1.1.0.dist-info/LICENSE.txt |
sha256=q_uKwcU9VzF5RcUsLQLnGW6XVWHvrLbfr7T6RggR9UM
|
1099 |
| dbstep-1.1.0.dist-info/METADATA |
sha256=JBEiWnmTU1tUPai7yMUfHOGvaiFPW4tE8WcbO5wh1Gg
|
11510 |
| dbstep-1.1.0.dist-info/WHEEL |
sha256=z9j0xAa_JmUKMpmz72K0ZGALSM_n-wQVmGbleXx2VHg
|
110 |
| dbstep-1.1.0.dist-info/top_level.txt |
sha256=lW7ATgxOiHfJ-QzcxlrPioko_hvUE0zhd3OY1DQ9wDI
|
7 |
| dbstep-1.1.0.dist-info/RECORD |
— |
— |