Re: [COOT] How to reset occupancy from 2 or 3 to 1?
On 04/12/2021 08:29, Yuqi Zhang wrote: Hi, all! I met a problem when I upload the PDB file to wwPDB. There is an error about the occupancy was larger than 1. So I checked the model in COOT. There are many atoms whose occupancy was 2 or 3. How to reset occupancy from 2 or 3 to 1? Can someone tell me the reason and help me? Something like Calculate → Scripting → Python set_occupancy_residue_range(0, "A", 1, 101, 1.0) # imol, chain-id, resno-start, resno-end, occ It is an oversight of mine that this is not in the documentation - I will address that. Paul. To unsubscribe from the COOT list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=COOT=1 This message was issued to members of www.jiscmail.ac.uk/COOT, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
Re: [COOT] How to reset occupancy from 2 or 3 to 1?
What model is it? Eleanor On Sat, 4 Dec 2021 at 08:29, Yuqi Zhang < 64676fd7756a-dmarc-requ...@jiscmail.ac.uk> wrote: > Hi, all! > I met a problem when I upload the PDB file to wwPDB. There is an error > about the occupancy was larger than 1. So I checked the model in COOT. > There are many atoms whose occupancy was 2 or 3. How to reset occupancy > from 2 or 3 to 1? Can someone tell me the reason and help me? > > > > To unsubscribe from the COOT list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=COOT=1 > > This message was issued to members of www.jiscmail.ac.uk/COOT, a mailing > list hosted by www.jiscmail.ac.uk, terms & conditions are available at > https://www.jiscmail.ac.uk/policyandsecurity/ > To unsubscribe from the COOT list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=COOT=1 This message was issued to members of www.jiscmail.ac.uk/COOT, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
[COOT] How to reset occupancy from 2 or 3 to 1?
Hi, all! I met a problem when I upload the PDB file to wwPDB. There is an error about the occupancy was larger than 1. So I checked the model in COOT. There are many atoms whose occupancy was 2 or 3. How to reset occupancy from 2 or 3 to 1? Can someone tell me the reason and help me? To unsubscribe from the COOT list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=COOT=1 This message was issued to members of www.jiscmail.ac.uk/COOT, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
