Hi Jason, sure, I have attached the xyz file to this email. We print out forces in columns 4-6 in the xyz. I run
PyMOL(TM) Molecular Graphics System, Version 1.2r1. on linux, 64-bit. Let me know if you need any additional information. Thanks, nick On Mon, Dec 14, 2009 at 10:20, Jason Vertrees <[email protected]>wrote: > Nick, > > Can I have a copy of that xyz file? I just tried loading a multi-xyz > file here and it worked fine. What system (OS) and version of PyMOL > are you using? > > Thanks, > > -- Jason > > -- > Jason Vertrees, PhD > > PyMOLWiki -- http://www.pymolwiki.org > > > > On Mon, Dec 14, 2009 at 11:30 AM, Nicolas Bock <[email protected]> > wrote: > > Hello list, > > > > I have a bunch of xyz files that are along a transition path in a > molecule. > > When I load all of them into pymol and step through the individual > frames, > > pymol calculates the bonds only for the initial frame. This leads to > wrong > > bonding in subsequent frames since some atoms move quite a bit during the > > transition. How can I get "dynamic" bonding so that bonding is > recalculated > > for each frame? > > > > nick > > > > > > > ------------------------------------------------------------------------------ > > Return on Information: > > Google Enterprise Search pays you back > > Get the facts. > > http://p.sf.net/sfu/google-dev2dev > > > > _______________________________________________ > > PyMOL-users mailing list ([email protected]) > > Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users > > Archives: http://www.mail-archive.com/[email protected] > > >
TS.xyz
Description: Protein Databank data
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