Re: [ccp4bb] rigorously compatible coordinate files

2010-10-26 Thread Eleanor Dodson
On 08/20/2010 05:50 PM, Charles W. Carter, Jr wrote: Is there a program that will read in a pdb coordinate file and re-order the side chain atoms in each residue according to a standard order? I've a program that compares two files for the same structure, but requires that the order of the

Re: [ccp4bb] rigorously compatible coordinate files

2010-08-21 Thread Eleanor Dodson
In fact the old PROCHECK which is still distributed with CCP4 I think does it - I am not sure that it obeys any current PDB criteria, bur it will give you two matching files. Eleanor James Stroud wrote: You seem to have two different criteria listed, one more general than the other: 1. You

Re: [ccp4bb] rigorously compatible coordinate files

2010-08-21 Thread Charles W. Carter, Jr
Thanks to all. Pymol does it readily, as Bob Immormino and Laurie Betts suggested. Other suggestions probably would also work. Charlie On Aug 20, 2010, at 9:20 PM, James Stroud wrote: You seem to have two different criteria listed, one more general than the other: 1. You need two or more

[ccp4bb] rigorously compatible coordinate files

2010-08-20 Thread Charles W. Carter, Jr
Is there a program that will read in a pdb coordinate file and re-order the side chain atoms in each residue according to a standard order? I've a program that compares two files for the same structure, but requires that the order of the atoms be the same in both cases. I'm using a variety of

Re: [ccp4bb] rigorously compatible coordinate files

2010-08-20 Thread Edward A. Berry
Ed Pozharski wrote: On Fri, 2010-08-20 at 18:50 +0200, Charles W. Carter, Jr wrote: Is there a program that will read in a pdb coordinate file and re-order the side chain atoms in each residue according to a standard order? I've a program that compares two files for the same structure, but

Re: [ccp4bb] rigorously compatible coordinate files

2010-08-20 Thread Boaz Shaanan
: Charles W. Carter, Jr car...@med.unc.edu Date: Friday, August 20, 2010 18:52 Subject: [ccp4bb] rigorously compatible coordinate files To: CCP4BB@JISCMAIL.AC.UK Is there a program that will read in a pdb coordinate file and re-order the side chain atoms in each residue according to a standard order