Hmmm - I am not sure about the value of this - one expects the longer floppier side chains to have very different B values for the CB than the OE2..
The program BAVERAGE gives you a plot of mean B value residue by residue.. *baverage* - averages B over main and side chain atoms SYNOPSIS¶ <https://www.ccp4.ac.uk/html/baverage.html#synopsis> *baverage XYZIN* *foo_in.pdb* *RMSTAB* *foo_out1.tab* *XYZOUT* *foo_out2.pdb* [Keyworded input <https://www.ccp4.ac.uk/html/baverage.html#keywords>] DESCRIPTION¶ <https://www.ccp4.ac.uk/html/baverage.html#description> A very simple minded program to read a PDB file, tabulate to RMSTAB the average B values residue by residue (main chain and side chain separately) and the RMS deviation of the B values from this mean. It also outputs a PDB file with outlying B factors reset to lie within the given range. On Fri, 5 Jan 2024 at 03:08, chenzhonghao...@163.com < chenzhonghao...@163.com> wrote: > Dear CCP4 community, > > I found that Refmac5 refined the temperature factor only by four modes > (see the bottom of the attached figure). However, no > grouped B-factor (one or two per residue instead of one per atom) was > found. > > Actually, PHENIX and CNS can do it. But we are not familiar with both > software. I want to know whether Refmac5 refines one or > two group B per residue (for side and main chains) grouped temperature > factor? > > Any help would be highly appreciated > > Thanks in advance. > > best, > > > Zhonghao Chen > > > > > > > > > ######################################################################## > > 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/ > ######################################################################## 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/
