Re: [COOT] Reordering chains in a pdb file

2015-01-20 Thread Eleanor Dodson
Sorry to be such a luddite, but what is wrong with a text editor! Eleanor On 20 January 2015 at 18:09, Sheriff, Steven wrote: > Paul: > > I just checked one file and indeed reorder chains no longer strips the > insertion residue record. Hurray! > > Steven > > -Original Message- > From:

Re: [COOT] Reordering chains in a pdb file

2015-01-20 Thread Sheriff, Steven
Paul: I just checked one file and indeed reorder chains no longer strips the insertion residue record. Hurray! Steven -Original Message- From: Mailing list for users of COOT Crystallographic Software [mailto:COOT@JISCMAIL.AC.UK] On Behalf Of Paul Emsley Sent: Tuesday, January 20, 2015

Re: [COOT] Reordering chains in a pdb file

2015-01-20 Thread Paul Emsley
On 20/01/15 17:32, Sheriff, Steven wrote: Rex: COOT->Extensions->Modeling...->Reorder Chains... But be forewarned that if the PDB file has insertion residue numbering this process will strip the insertion residue character from the ATOM records, so the file will end up with multiple residues

Re: [COOT] Reordering chains in a pdb file

2015-01-20 Thread Scott Lovell
In Coot select the following: “Extensions à Modelling à Reorder Chains” and you should be good. Scott __ Scott Lovell Ph.D., Director Protein Structure Laboratory University of Kansas Del Shankel Structural Biology Center 2034 Becker Drive Lawrence,

Re: [COOT] Reordering chains in a pdb file

2015-01-20 Thread Paul Emsley
On 20/01/15 16:53, Rex Palmer wrote: My protein has 4 separate chains A,B,C and D but the pdb file has the chains in order C,D,A,B. Is there any existing software that would rearrange my pdb file as A,B,C,D? Extensions -> Modelling -> Reorder chains. This should work in 0.8 and 0.8.1, but

Re: [COOT] Reordering chains in a pdb file

2015-01-20 Thread Sheriff, Steven
Rex: COOT->Extensions->Modeling...->Reorder Chains... But be forewarned that if the PDB file has insertion residue numbering this process will strip the insertion residue character from the ATOM records, so the file will end up with multiple residues with the same apparent residue number. Ste

[COOT] Reordering chains in a pdb file

2015-01-20 Thread Rex Palmer
My protein has 4 separate chains A,B,C and D but the pdb file has the chains in order C,D,A,B. Is there any existing software that would rearrange my pdb file as A,B,C,D?   Rex Palmer http://www.bbk.ac.uk/biology/our-staff/emeritus-staff

Re: [COOT] WinCoot: field 'Edit / Skeleton Parameters / Skeleton Radius' obscured

2015-01-20 Thread Bernhard Lohkamp
Thanks for pointing this out. It is fixed in revision 5503. B On 19/01/2015 16:06, Christoph Parthier wrote: Hi, This seems to be a WinCoot issue: whenever the value for the 'Skeleton Box Radius' (Menu 'Edit/Skeleton Parameters) is to be changed, the field shows the current value followed by a