Re: [ccp4bb] Disulfide bonds

2012-03-04 Thread Francois Berenger
I wonder if it's not in the output of pisa from ccp4mg. On 03/05/2012 12:30 AM, Bart Hazes wrote: Hi Fred, The SSBOND server has indeed been moved as we have relocated to a new building. SSBOND is still available at the new server address: http://hazeslab.med.ualberta.ca/forms/ssbond.html This

Re: [ccp4bb] twin refinement in refmac

2012-03-04 Thread Eleanor Dodson
Is this twinning or several crystals indexed according to different conventions? You usually see evidence of twinning for each crystal if it is really there.. Trigonal data can be indexed as h,k,l k,h,-k -h,-k,l or -k,-h,-l of course so you have a 75% chance of getting the 2nd crystal on a dif

Re: [ccp4bb] sudden drop in R/Rfree

2012-03-04 Thread Eleanor Dodson
Presumably your data is quite anisotropic, and low resolution, so it is quite likely that a TLS model will give much better description of the B factors than more classical refinement. Modelling solvent at that resolotion will be tricky of course. Elesnor On Mar 4 2012, Joseph Cockburn wrote

Re: [ccp4bb] sudden drop in R/Rfree

2012-03-04 Thread Joseph Cockburn
Hi Rajesh, If you're seeing a lot of extra density coming up in the map in regions where you previously added waters, is it possible that this extra density corresponds to a part of your protein that you previously thought was disordered and is thus missing from the current model? At this resolutio

Re: [ccp4bb] Disulfide bonds

2012-03-04 Thread Bart Hazes
Hi Fred, The SSBOND server has indeed been moved as we have relocated to a new building. SSBOND is still available at the new server address: http://hazeslab.med.ualberta.ca/forms/ssbond.html This was my first ever program,with help from Bauke Dijkstra, and I was pleasantly surprised how man

Re: [ccp4bb] Disulfide bonds

2012-03-04 Thread Ed Pozharski
If you are looking for predicting disulfide bonds, then this may be useful http://lmgtfy.com/?q=predict+disulfide+bonds Cheers, Ed. -- Hurry up, before we all come back to our senses! Julian, King of Lemurs

Re: [ccp4bb] Disulfide bonds

2012-03-04 Thread Frederic VELLIEUX
I'd google for "Bart Hazes" and "SSBOND" myself. There is (or was) a server, and the publication is Prot. Eng. 1988, 119, 25 (PMID 3244694). The server seems to be down or has moved. HTH, Fred. > Message du 04/03/12 05:07 > De : "Naveed A Nadvi" > A : CCP4BB@JISCMAIL.AC.UK > Copie à : > Objet