ZINC Subset DB2 file locations
On the UCSF cluster:
/raida/db/rgc/frags-now-marvin Fragments available now /raida/db/rgc/frags-all-marvin All fragments available now or on-demand quickly /raida/db/rgc/leads-now-marvin Leadlike available now /raida/db/rgc/leads-rest-marvin The rest of leadlike (run both to get both)
Replace /raida/db/ with /nfs/db/users/ if you are using the Toronto cluster.
Please cite the Coleman, Sterling & Weiss paper on using Marvin if you dock against these subsets Citations for DOCK3.7.
This work is licensed under the Creative Commons Attribution-ShareAlike 3.0 Unported License. To view a copy of this license, visit http://creativecommons.org/licenses/by-sa/3.0/ This page is adapted from "DOCK3.7 Documentation" by Ryan G. Coleman. Based on a work at https://sites.google.com/site/dock37wiki/.