Thanks Peter. Given there are only 150 residues in my PDB file, it is doable (if I can't work out a script)!
Kind regards, Yahui On Mon, Jan 13, 2025 at 3:16 PM 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 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/
