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- Thu Mar 21, 2024 10:49 am
- Forum: Main Forum
- Topic: LSalign interpretations with large RMSDs
- Replies: 1
- Views: 91383
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...