Re: [ccp4bb] limit for number of files for CAD...

2010-11-04 Thread Eleanor Dodson
I think it is far safer to run CAD with 9 files, then again with the output file as the first input, plus 8 more etc etc etc.. This isnt something you want to do very often Eleanor On 11/03/2010 06:01 PM, Ian Tickle wrote: I have a version wten is it? hich I modified a while back to handle

Re: [ccp4bb] limit for number of files for CAD...

2010-11-04 Thread George M. Sheldrick
I think that XPREP would also be suitable for the purpose, but is limited to 99 input files. George Prof. George M. Sheldrick FRS Dept. Structural Chemistry, University of Goettingen, Tammannstr. 4, D37077 Goettingen, Germany Tel. +49-551-39-3021 or -3068 Fax. +49-551-39-22582 On Thu, 4 Nov

Re: [ccp4bb] How to add methyl group on the NZ atom of lysine

2010-11-04 Thread Sollepura Yogesha
Dear All and Peter, In one of my structure, I find similar positive density though my protein was not methylated. Are there are any other reasons for appearance of such positive density next to Lysine. Thanking you Yogi From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] On Behalf Of

Re: [ccp4bb] How to add methyl group on the NZ atom of lysine

2010-11-04 Thread Robbie Joosten
Hi Peter, Iff you are sure you are dealing with methyl-lysine, you can get it into your structure by using Get monomer to get the compound MLZ. Position it correctly and then merge it into the structure. I prefer using a text editor to do this. Make sure you put the ATOM records at the right

Re: [ccp4bb] How to add methyl group on the NZ atom of lysine

2010-11-04 Thread Miller, Mitchell D.
Hi Peter, If the lysine is dimethylated, the monomer code needed is MLY. By mass spec we found most sites to be dimethylated. However, looking at the structures we found a few sites to be protected from methylation. These had clear density for the NZ atom, no density for methyl groups and a

[ccp4bb] Postdoctoral position at Columbia University

2010-11-04 Thread Qing R. Fan
A postdoctoral fellow/scientist or research associate position is available at Columbia University Medical Center. We study the structure and function of cell surface receptors using a combination of x-ray crystallography and biochemical methods. The successful candidate will focus on the

[ccp4bb] Can refmac output the mtzfile including mFo/DFc columes?

2010-11-04 Thread Hailiang Zhang
Hi, there, Is there any way refmac can output the mtzfile including mFo/DFc columes? Thanks! Hailiang