Re: [ccp4bb] Adding a residue with an insertion code

2015-01-14 Thread Zhijie Li
: Sampson, Jared Sent: Wednesday, January 14, 2015 3:48 PM To: Zhijie Li Cc: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Adding a residue with an insertion code Thanks to Paul and Zhijie for the suggestions. In the past, I’ve also renumbered everything from 1 (using pdbset) for the duration

Re: [ccp4bb] Adding a residue with an insertion code

2015-01-14 Thread Sampson, Jared
Thanks to Paul and Zhijie for the suggestions. In the past, I’ve also renumbered everything from 1 (using pdbset) for the duration of refinement, then renumbered the structure at the end. For that, I would use either pdbset and a text editor (which is somewhat tedious, as there are several

Re: [ccp4bb] Adding a residue with an insertion code

2015-01-14 Thread Zhijie Li
Hi Jared, The only thing that comes to my mind that might help a little is to use pdbset to renumber your residues. Then you only need to change residue 101 to 100A manually in a text editor (unfortunately I could not find a program that does that). Here are the steps I would take: 1) build