Hello, I have found the program phenix.pdbtools. Maybe, it can renumber residues of pdb. I have found the options renumber_residues options but I am unable to see the options for starting residues. I have pdb starts from 1 and want to renumber 1 into 250. Can somebody tell me how to put the option for starting residue? Regards, Rojan
I don't think pdbtools has this right now, although it can probably be
added with minimal effort. If you're willing and able to edit your model
interactively, phenix.pdb_editor is much more flexible (but it's a GUI, so
not suitable for automated use).
Of course I'm pretty sure Coot can do this too.
-Nat
On Wed, Feb 26, 2014 at 9:21 PM, Rojan Shrestha
Hello,
I have found the program phenix.pdbtools. Maybe, it can renumber residues of pdb. I have found the options *renumber_residues* options but I am unable to see the options for starting residues.
I have pdb starts from 1 and want to renumber 1 into 250. Can somebody tell me how to put the option for starting residue?
Regards,
Rojan
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Quick update: I've added an increment_resseq option that does what you
want; it will be in the next build.
-Nat
On Wed, Feb 26, 2014 at 11:23 PM, Nathaniel Echols
I don't think pdbtools has this right now, although it can probably be added with minimal effort. If you're willing and able to edit your model interactively, phenix.pdb_editor is much more flexible (but it's a GUI, so not suitable for automated use).
Of course I'm pretty sure Coot can do this too.
-Nat
On Wed, Feb 26, 2014 at 9:21 PM, Rojan Shrestha
wrote: Hello,
I have found the program phenix.pdbtools. Maybe, it can renumber residues of pdb. I have found the options *renumber_residues* options but I am unable to see the options for starting residues.
I have pdb starts from 1 and want to renumber 1 into 250. Can somebody tell me how to put the option for starting residue?
Regards,
Rojan
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Both CCP4's PDBSET and COOT should do what you want (i.e. offset the numbering by 250) Phil Jeffrey Princeton ________________________________ From: [email protected] [[email protected]] on behalf of Rojan Shrestha [[email protected]] Sent: Thursday, February 27, 2014 12:21 AM To: PHENIX user mailing list Subject: [phenixbb] Option for renumber the pdb Hello, I have found the program phenix.pdbtools. Maybe, it can renumber residues of pdb. I have found the options renumber_residues options but I am unable to see the options for starting residues. I have pdb starts from 1 and want to renumber 1 into 250. Can somebody tell me how to put the option for starting residue? Regards, Rojan
Those ccp4 options are excellent. Another option is the easy-to-use PDB Editor http://www.bioinformatics.org/pdbeditor/wiki/. I find it to be very versatile for editing PDB files. Blaine Mooers Assistant Professor Department of Biochemistry and Molecular Biology University of Oklahoma Health Sciences Center S.L. Young Biomedical Research Center Rm. 466 Shipping address: 975 NE 10th Street, BRC 466 Oklahoma City, OK 73104-5419 Letter address: P.O. Box 26901, BRC 466 Oklahoma City, OK 73190 office: (405) 271-8300 lab: (405) 271-8313 fax: (405) 271-3910 e-mail: [email protected] Faculty webpage: http://www.oumedicine.com/department-of-biochemistry-and-molecular-biology/f... X-ray lab webpage: http://www.oumedicine.com/department-of-biochemistry-and-molecular-biology/d... Small Angle Scattering webpage: http://www.oumedicine.com/docs/default-source/ad-biochemistry-workfiles/smal... ________________________________________ From: [email protected] [[email protected]] On Behalf Of Jeffrey, Philip D. [[email protected]] Sent: Thursday, February 27, 2014 2:04 AM To: Rojan Shrestha; PHENIX user mailing list Subject: Re: [phenixbb] Option for renumber the pdb Both CCP4's PDBSET and COOT should do what you want (i.e. offset the numbering by 250) Phil Jeffrey Princeton ________________________________ From: [email protected] [[email protected]] on behalf of Rojan Shrestha [[email protected]] Sent: Thursday, February 27, 2014 12:21 AM To: PHENIX user mailing list Subject: [phenixbb] Option for renumber the pdb Hello, I have found the program phenix.pdbtools. Maybe, it can renumber residues of pdb. I have found the options renumber_residues options but I am unable to see the options for starting residues. I have pdb starts from 1 and want to renumber 1 into 250. Can somebody tell me how to put the option for starting residue? Regards, Rojan
Since you are already in Phenix - How about the option under "Model tools" called "PDB file editor"?
When you open this option it asks for a pdb file, and once loaded you can select (click on) your chain. Click "Edit" from the top bar and select "Renumber residues". It pops up a box asking how much to increment the numbers by and produces the renumbered pdb file. (Note - it will accept negative numbers as well)
Many other options there too...
Kind regards,
Christina
Christina R. Bourne, Ph.D.
Assistant Professor
Dept. of Chemistry and Biochemistry
University of Oklahoma
101 Stephenson Parkway, SLSRC Rm 2610
Norman, OK 73019
Office +1 (405) 325-5348
Mobile +1 (405) 338-5616
http://faculty-staff.ou.edu/B/Christina.Bourne-1/CRBourne/Welcome.html
On Wednesday, February 26, 2014 11:21 PM, Rojan Shrestha
participants (5)
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Christina Bourne
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Jeffrey, Philip D.
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Mooers, Blaine H.M. (HSC)
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Nathaniel Echols
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Rojan Shrestha