[ccp4bb] ipmosflm centos4.4 mouse enlarge doesn't work

2007-04-11 Thread Paul Kraft
Hi, I just installed centos4.4 and the latest version of CCP4-6.0.2. I used the auto install and the runnable executables went just fine. Ipmosflm opens up just fine and can find spot, index, and refine, but I can't use the mouse to enlarge an area, which is especially needed when you have crappy

[ccp4bb] esu of coordinates DPI formula

2007-04-11 Thread Ulrich Genick
Hi, Could anybody enlighten me about the current best practice for calculating the e.s.u for atomic positions of individual atoms based on B-factor, R-free as well as completeness of data and model. I have been digging through the literature to find a good estimator of the estimated standard unc

Re: [ccp4bb] Binding pocket volume

2007-04-11 Thread artis
Hello Yingjie Peng You can do this in SPOCK. You can select all the residues that make up the pocket and select calculate, volume from the menu for these residues. Hope this works. Arti > Dear all, > >Is there anyone who can tell me how to calculate the volume of > substrate > binding pocket i

Re: [ccp4bb] AW: [ccp4bb] antibody refinement in REFMAC with Kabat numbering

2007-04-11 Thread Klaas Decanniere
On Wed, 11 Apr 2007, [ISO-8859-1] "F.Xavier Gomis-R?th" wrote: > I fully agree with Hermann due to obvious reasons > Xavier For antibodies there are several numbering schemes in use, or at least proposed (Kabat, Chothia, AHo, IMGT, ..). So it would be nice to have a file format that allows se

[ccp4bb] Binding pocket volume

2007-04-11 Thread Yingjie Peng
Dear all, Is there anyone who can tell me how to calculate the volume of substrate binding pocket in a protein structure? I want to use it to the quantify the conformational change caused by induced fitting. Thanks very much. Yingjie Peng Yingjie PENG, Ph.D. student Structural Biology Group

[ccp4bb] AW: [ccp4bb] antibody refinement in REFMAC with Kabat numbering

2007-04-11 Thread Herman . Schreuder
Dear Eleonor and Bullitin board people, I would like to comment on the "weird numbering schemes" mentioned in the email below. Although they make life (slightly) more difficult for developers of crystallographic software, they make life much easier for many of the rest of the world and have been