AFAIK the CCP4 tools “superpose” and “gesamt” both give tables of per-residue RMSD
Harry > On 5 Jan 2024, at 10:49, Tomas Malinauskas <tomas.malinaus...@gmail.com> > wrote: > > Dear All, > > I apologize for asking a somewhat off-topic question. > > I have multiple aligned PDB files loaded in PyMOL, each representing > different conformations of the same protein. I'm interested in > creating a graph displaying RMSD per residue, similar to those shown > at > https://www.ks.uiuc.edu/Training/Tutorials/science/aars/aars_html.bak/node22.html > or > https://www.compchems.com/how-to-compute-the-rmsf-using-gromacs/#the-gmx-rmsf-command. > > I'm wondering if anyone has a script available that can calculate RMSD > per residue and write the data to a text file for graph generation. If > so, would they be able to share it with everyone? > > Thank you for your help. > > Best wishes, > Tomas > > ######################################################################## > > 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/
