Search results

ZINC Subset DB2 file locations
/raida/db/rgc/frags-now-marvin Fragments available now /raida/db/rgc/frags-all-marvin All fragments available now or on-demand quickly

677 bytes (97 words) - 19:05, 10 January 2019
Splitdb.py
[[User:Rgc]]

435 bytes (71 words) - 01:02, 11 March 2014
Db2multipdb.py
~rgc/Source/bks_src/db2multipdb.py /usr/arch/bin/python2.6 ~rgc/Source/bks_src/db2multipdb.py

3 KB (464 words) - 20:11, 8 October 2012
Multimol2db2.py
[[User:Rgc]]

1 KB (184 words) - 18:00, 15 February 2014
Multimol2db.py
[[User:Rgc]]

2 KB (207 words) - 01:03, 11 March 2014
Omega.parm
=> Internal benchmarkings on DUDE (by RGC) have shown that electrostatics improves enrichment for many targets. And f Thanks to MM and RGC.

4 KB (557 words) - 04:10, 14 February 2014
Travel Depth
setenv TDHOME /raid1/people/rgc/Source/travel_distance_code_3 run ~rgc/Source/travel_distance_code_3/pymol/tstdisp.py

4 KB (746 words) - 20:33, 8 October 2012
Enm explorer
~rgc/Source/sharp_src/pdbcrd2pdbs.py pdbName crdName outputPdbPrefix

2 KB (356 words) - 19:24, 14 February 2018
Omega.py
=> Internal benchmarkings on DUDE (by RGC) have shown that electrostatics improves enrichment for many targets.

3 KB (389 words) - 04:08, 14 February 2014
Dock Sampling
Thanks to RGC for lots of docking advice and [[Multimol2db.py]]. Thanks to MM for [[Score

8 KB (1,222 words) - 16:11, 14 February 2014

Navigation menu