Search found 1 match

by lam.a
Thu Mar 21, 2024 10:49 am
Forum: Main Forum
Topic: LSalign interpretations with large RMSDs
Replies: 1
Views: 89740

LSalign interpretations with large RMSDs

Hello, I was wondering if anyone has any experience with using LS-align on similar chemical analogues but had large RMSD values? I have two very similar compounds used on LS-align (differing only by the addition of a Fluorine atom) but the RMSD was ~3 for both the rigid and flexible LS-align options...