Re: [PyMOL] Compare two structures with the same connectivity butdifferent stereochemistry?

2020-03-25 Thread Peng Yu
aligned. > ExecutiveRMS: 2 atoms rejected during cycle 1 (RMSD=5.48). > Executive: RMSD =5.238 (91 to 91 atoms) > > From: Peng Yu > Sent: 2020年3月25日 6:28 > To: pymol-users@lists.sourceforge.net > Subject: [PyMOL] Compare two structures with the same connectivity > butdif

[PyMOL] Compare two structures with the same connectivity but different stereochemistry?

2020-03-24 Thread Peng Yu
I'd like to compare the difference between the two structures which have the same connectivity but different stereochemistry. Could anybody show me if there is a way to do so in pymol? Thanks. http://tcmspw.com/tcmspmol/MOL002088.mol2 http://tcmspw.com/tcmspmol/MOL002424.mol2 -- Regards, Peng