Blain,
The command will not change the numbering of amino acids starting from #1. But if you got missing ones, like in my case, it will. Except for those having also letter in the number field. I mean the numbering used for CDRs of antibodies, not alternatives. Hence, my question, is there a command that will ignore the letters in the number field and renumber the amino acids in the order they appear in the file.
Thank you.
From: Mooers, Blaine H.M. (HSC) <Bla...@ou...>
Sent: Monday, June 15, 2020 12:06 PM
To: Oganesyan, Vaheh <vah...@as...>; Jarrett Johnson <jar...@sc...>
Cc: pym...@li...
Subject: RE: [PyMOL] renumber
Hi Vaheh,
alter vh, resi=str(int(resi)+0)
will not change the residue numbers because 0 is being added.
Replace 0 with your desired residue number offset.
Best regards,
Blaine
Blaine Mooers, Ph.D.
Associate Professor
Department of Biochemistry and Molecular Biology
College of Medicine
University of Oklahoma Health Sciences Center
S.L. Young Biomedical Research Center (BRC) Rm. 466
975 NE 10th Street, BRC 466
Oklahoma City, OK 73104-5419
________________________________________
From: Oganesyan, Vaheh [vah...@as...]
Sent: Monday, June 15, 2020 10:49 AM
To: Jarrett Johnson
Cc: pym...@li...<mailto:pym...@li...>
Subject: [EXTERNAL] Re: [PyMOL] renumber
Thank you Jarrett,
Then the command
alter vh, resi=str(int(resi)+0)
should work, right? But it doesn't because there are residue numbers with letters. Is there a command that will either remove the letters or won't pay attention to them and renumber sequentially.
Regards,
From: Jarrett Johnson <jar...@sc...<mailto:jar...@sc...>>
Sent: Monday, June 15, 2020 11:38 AM
To: Oganesyan, Vaheh <vah...@as...<mailto:vah...@as...>>
Cc: pym...@li...<mailto:pym...@li...>
Subject: Re: [PyMOL] renumber
Hello,
The command shown on this page https://pymolwiki.org/index.php/Renumber<https://pymolwiki.org/index.php/Renumber><https://urldefense.proofpoint.com/v2/url?u=https-3A__pymolwiki.org_index.php_Renumber&d=DwMGaQ&c=VjzId-SM5S6aVB_cCGQ0d3uo9UfKByQ3sI6Audoy6dY&r=k0gMbcsdOcdbPUNV5tW66KQSZfXL0ewVDPVBp7tqbks&m=HQhXfRvgQZ3mFRTUuOGKZTZZVlTRi9o87ygYqEDnPog&s=ziFhw29qVsmpI-rra_AyanmqFEsNZVmEsXF4VIjUMmI&e=<https://urldefense.proofpoint.com/v2/url?u=https-3A__pymolwiki.org_index.php_Renumber&d=DwMGaQ&c=VjzId-SM5S6aVB_cCGQ0d3uo9UfKByQ3sI6Audoy6dY&r=k0gMbcsdOcdbPUNV5tW66KQSZfXL0ewVDPVBp7tqbks&m=HQhXfRvgQZ3mFRTUuOGKZTZZVlTRi9o87ygYqEDnPog&s=ziFhw29qVsmpI-rra_AyanmqFEsNZVmEsXF4VIjUMmI&e=>> is not one that comes with PyMOL by default. Try downloading the script and importing it via the `run` command in the PyMOL command-line:
run renumber.py<https://urldefense.proofpoint.com/v2/url?u=http-3A__renumber.py&d=DwQGaQ&c=VjzId-SM5S6aVB_cCGQ0d3uo9UfKByQ3sI6Audoy6dY&r=k0gMbcsdOcdbPUNV5tW66KQSZfXL0ewVDPVBp7tqbks&m=HQhXfRvgQZ3mFRTUuOGKZTZZVlTRi9o87ygYqEDnPog&s=FHmoNz1s1Pj-_paiWCTfneG3RkPiLccu2uI2KNr8ROw&e=<https://urldefense.proofpoint.com/v2/url?u=http-3A__renumber.py&d=DwQGaQ&c=VjzId-SM5S6aVB_cCGQ0d3uo9UfKByQ3sI6Audoy6dY&r=k0gMbcsdOcdbPUNV5tW66KQSZfXL0ewVDPVBp7tqbks&m=HQhXfRvgQZ3mFRTUuOGKZTZZVlTRi9o87ygYqEDnPog&s=FHmoNz1s1Pj-_paiWCTfneG3RkPiLccu2uI2KNr8ROw&e=>>
and then you should be able to use the command as shown on the Wiki page.
Hope that helps,
Jarrett J.
On Mon, Jun 15, 2020 at 11:29 AM Oganesyan, Vaheh <vah...@as...<mailto:vah...@as...<mailto:vah...@as...%3cmailto:vah...@as...>>> wrote:
Hello PyMOLers,
Wiki uses renumber command to alter residue numbers, but PyMOL doesn't recognize it. Is it that Wiki is old, or my PyMOL version is dusty?
Regards,
Vaheh
_______________________________________________
PyMOL-users mailing list
Archives: http://www.mail-archive.com/pym...@li...<http://www.mail-archive.com/pym...@li...><https://urldefense.proofpoint.com/v2/url?u=http-3A__www.mail-2Darchive.com_pymol-2Dusers-40lists.sourceforge.net&d=DwMGaQ&c=VjzId-SM5S6aVB_cCGQ0d3uo9UfKByQ3sI6Audoy6dY&r=k0gMbcsdOcdbPUNV5tW66KQSZfXL0ewVDPVBp7tqbks&m=HQhXfRvgQZ3mFRTUuOGKZTZZVlTRi9o87ygYqEDnPog&s=0jiLKKRpirp3ZmCRyyo_9R1IshveF24db_HqbNveLVE&e=<https://urldefense.proofpoint.com/v2/url?u=http-3A__www.mail-2Darchive.com_pymol-2Dusers-40lists.sourceforge.net&d=DwMGaQ&c=VjzId-SM5S6aVB_cCGQ0d3uo9UfKByQ3sI6Audoy6dY&r=k0gMbcsdOcdbPUNV5tW66KQSZfXL0ewVDPVBp7tqbks&m=HQhXfRvgQZ3mFRTUuOGKZTZZVlTRi9o87ygYqEDnPog&s=0jiLKKRpirp3ZmCRyyo_9R1IshveF24db_HqbNveLVE&e=>>
Unsubscribe: https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe<https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe><https://urldefense.proofpoint.com/v2/url?u=https-3A__sourceforge.net_projects_pymol_lists_pymol-2Dusers_unsubscribe&d=DwMGaQ&c=VjzId-SM5S6aVB_cCGQ0d3uo9UfKByQ3sI6Audoy6dY&r=k0gMbcsdOcdbPUNV5tW66KQSZfXL0ewVDPVBp7tqbks&m=HQhXfRvgQZ3mFRTUuOGKZTZZVlTRi9o87ygYqEDnPog&s=u0GfpqJznDAnSRPi-ENNk5i5F203FOoK4e8tFBNx-fc&e=<https://urldefense.proofpoint.com/v2/url?u=https-3A__sourceforge.net_projects_pymol_lists_pymol-2Dusers_unsubscribe&d=DwMGaQ&c=VjzId-SM5S6aVB_cCGQ0d3uo9UfKByQ3sI6Audoy6dY&r=k0gMbcsdOcdbPUNV5tW66KQSZfXL0ewVDPVBp7tqbks&m=HQhXfRvgQZ3mFRTUuOGKZTZZVlTRi9o87ygYqEDnPog&s=u0GfpqJznDAnSRPi-ENNk5i5F203FOoK4e8tFBNx-fc&e=>>
--
Jarrett Johnson | Senior Developer
[Schrodinger Logo]<https://urldefense.proofpoint.com/v2/url?u=https-3A__www.schrodinger.com_&d=DwMGaQ&c=VjzId-SM5S6aVB_cCGQ0d3uo9UfKByQ3sI6Audoy6dY&r=k0gMbcsdOcdbPUNV5tW66KQSZfXL0ewVDPVBp7tqbks&m=HQhXfRvgQZ3mFRTUuOGKZTZZVlTRi9o87ygYqEDnPog&s=my7IR5rxG-1yA5AP52htw3MT5MKRSqHAwEmOVfdcSdc&e=<https://urldefense.proofpoint.com/v2/url?u=https-3A__www.schrodinger.com_&d=DwMGaQ&c=VjzId-SM5S6aVB_cCGQ0d3uo9UfKByQ3sI6Audoy6dY&r=k0gMbcsdOcdbPUNV5tW66KQSZfXL0ewVDPVBp7tqbks&m=HQhXfRvgQZ3mFRTUuOGKZTZZVlTRi9o87ygYqEDnPog&s=my7IR5rxG-1yA5AP52htw3MT5MKRSqHAwEmOVfdcSdc&e=>>
|
