I don't know how many people still use it, but doesn't CNS give you that capability? In the bgroup.inp script, I think you can easily specify which atoms or residues to include in each overall B-factor.
Daniel ________ Daniel M. Himmel, Ph. D. Principal, Himmel Sci Med Com, LLC E-mail: danielmhim...@gmail.com URL : https://himmelscimedcom.com Member, American Medical Writers Association You can also find me at https://www.talusfreelance.com On Mon, Jan 13, 2025 at 10:26 AM Peter Smyth <peter.sm...@xfel.eu> wrote: > Dear Yahui, > > It is possible to set the B-factor (temperature factor) for all atoms in a > residue at once using the residue info dialogue in Coot (Measures>Residue > Info... in Coot 0.9). You would still have to go through residue by > residue, though. > > For something more automated, you could look into scripting changes using > command line text editing of the PDB files. > > Cheers, > > Peter Smyth > Postdoc scientist, SEC Group > European XFEL > > > ------------------------------ > *From: *Hui <butterflycam...@gmail.com> > *To: *CCP4BB <CCP4BB@JISCMAIL.AC.UK> > *Date: *Monday, 13 January 2025 16:02 CET > *Subject: *[ccp4bb] replacing B-factor column and color accordingly > > Happy New Year, everyone! > > I am looking for a PDB editing tool to replace the B-factors numbers with > another column of numbers, then color the structure by pseudo-B-factors in > ChimeraX. All the atoms of one individual residue will have the same number > at the B-factor column. I can possibly edit the coordinate manually atom by > atom, which is not very fun to do. Does anybody know of any programme doing > this process? > > Thanks a lot! > > Kind regards, > Yahui > > > ------------------------------ > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > > > ------------------------------ > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
