Difference between revisions of "Multimol2db.py"
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'''multimol2db.py''' | '''multimol2db.py''' | ||
| − | This script runs | + | This script is a utility program that takes as input a .mol2 file that has been protonated and all conformations have been generated with OMEGA (or alternatively, a mol2 file from some other source) and runs AMSOL & mol2db on it to make .db files for docking. |
| + | |||
| + | multimol2db.py input.mol2 | ||
| + | |||
| + | The file is in your dockenv/scripts or $DOCK_BASE/scripts/ | ||
| + | |||
| + | A version is also kept is ~/Source/bks_src/multimol2db.py | ||
| + | |||
| + | [[User:Rgc]] | ||
Revision as of 22:27, 3 February 2012
multimol2db.py
This script is a utility program that takes as input a .mol2 file that has been protonated and all conformations have been generated with OMEGA (or alternatively, a mol2 file from some other source) and runs AMSOL & mol2db on it to make .db files for docking.
multimol2db.py input.mol2
The file is in your dockenv/scripts or $DOCK_BASE/scripts/
A version is also kept is ~/Source/bks_src/multimol2db.py