Torsion against CSD visualize with Maestro

From DISI
Revision as of 19:36, 15 May 2020 by Yingyang (talk | contribs) (Created page with "5/15/2020 Ying Besides the automated strain filtering, it's useful to visualize the torsion angle in against CSD. Here's an example of how to do it with Schrodinger tools. ...")
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to navigation Jump to search

5/15/2020 Ying

Besides the automated strain filtering, it's useful to visualize the torsion angle in against CSD. Here's an example of how to do it with Schrodinger tools.

1) Login to gimel. We only have valid CSD license on gimel.

2) Run the script: 

 csh /nfs/home/yingyang/scripts/search_csd.sh <mol2 file>

Output file is <filename>-out.maegz. When <filename>-out.maegz file is created, CSD search is done.

3) Visualize with Maestro. Import <filename>-out.maegz into maestro. Click Tasks, Type CSD, and then Click CSD Analysis.

Retrieved from "http://wiki.docking.org/index.php?title=Torsion_against_CSD_visualize_with_Maestro&oldid=12528"