Hello Harry, Looking at:
http://www.mcgnmr.mcgill.ca/ProtSkin/ It says: "If your input is a plain file containing your scalar data to map, such as heteronuclear NOE or chemical shift differences, ensure the first column in your file contains residue numbers and the second column contains the values to map, then click the Browse button to retrieve this file and select "Plain list of scores" If you can get the residue number and rmsd data into columns in a file, it should map them onto a pdb file for one monomer as pseudo-B-factors. HTH, Jon.C. Sent from ProtonMail mobile -------- Original Message -------- On 26 May 2021, 16:51, Harry Powell - CCP4BB wrote: > Yes, Jon, but I was hoping I wasn’t the first person to ever want this… > > Harry > >> On 26 May 2021, at 16:34, Jon Cooper >> <0000488a26d62010-dmarc-requ...@jiscmail.ac.uk> wrote: >> >> The hard bit is to get the rmsd's into the B-factor column, but it shouldn't >> stretch you too much, Harry ;- >> >> There is ProtSkin on the web which does something similar with sequence >> alignments. >> >> Sent from ProtonMail mobile >> >> >> >> -------- Original Message -------- >> On 26 May 2021, 16:28, Harry Powell - CCP4BB < >> 0000193323b1e616-dmarc-requ...@jiscmail.ac.uk> wrote: >> >> Hi Jurgen >> >> NMR structures don’t appear to have B_factors, or at least not meaningful >> ones (e.g. in 2kv5 they’re all 0.00…). >> >> thanks for the response, though >> >> Harry >> >> > On 26 May 2021, at 16:21, Jurgen Bosch <jxb...@case.edu> wrote: >> > >> > How about color by B-factor and look for the cold areas and hot areas? >> > Jürgen >> > >> >> On May 26, 2021, at 11:04 AM, Harry Powell - CCP4BB >> >> <0000193323b1e616-dmarc-requ...@jiscmail.ac.uk> wrote: >> >> >> >> Hi >> >> >> >> Given that there are plenty of people on this BB who are structural >> >> biologists rather than “just” crystallographers, I thought someone here >> >> might be able to help. >> >> >> >> If I have a structure in the PDB (e.g. 2kv5) that is an ensemble of >> >> structures that fit the NOEs, is there a tool available that will give me >> >> some idea about the bits of the structure that do not vary much (“rigid”) >> >> and the bits that are all over the place (“flexible”)? >> >> >> >> Would superpose or gesamt be a good tool for this? Ideally I’d like >> >> something that could add a figure to the B columns in a PDB file so I >> >> could see something in QTMG (or PyMol if forced…) or do other useful >> >> things with the information. >> >> >> >> Harry >> >> ######################################################################## >> >> >> >> 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/ >> >> ######################################################################## >> >> 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 >> ######################################################################## 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/
