Re: [ccp4bb] looking for a program

2008-11-23 Thread Juergen Bosch
Hi Lucas, you can send your PDB file to this server and get the information you want in one of their analysis. http://www.ebi.ac.uk/thornton-srv/databases/pdbsum/upload.html Jürgen On 22 Nov 2008, at 14:45, Lucas Bleicher wrote: By the way, is there a program (perhaps one of those cited on

Re: [ccp4bb] looking for a program

2008-11-22 Thread Lucas Bleicher
By the way, is there a program (perhaps one of those cited on this thread) that would list all salt bridges and hydrogen bonds for residues in the same chain? Lucas Veja quais são os assuntos do momento no Yahoo! +Buscados http://br.maisbuscados.yahoo.com

Re: [ccp4bb] looking for a program

2008-11-20 Thread Brett Collins
Hi Frederic, Just to add to the list: PSAIA http://complex.zesoi.fer.hr/tools/PSAIA.html GETAREA http://curie.utmb.edu/getarea.html and NACCESS http://www.bioinf.manchester.ac.uk/naccess/ We've used these for calculating polar and apolar contributions to binding surface areas (in particular

Re: [ccp4bb] looking for a program

2008-11-20 Thread Jeff Headd
The MolProbity server allows you to look at contacts between two interfaces. You will see H-bonds, van der Waals interactions, and steric clashes in a kinemage view, as well as in a text list form if desired. You can also use our program 'Probe' offline, which may be dowloaded here: http://kinem

Re: [ccp4bb] looking for a program

2008-11-20 Thread Oliv Eidam
I also like the http://i.moltalk.org server for interface analysis. On the website click on "Find Interface between two chains of a structure": it is very simple to use and the output table lists and describes all atom-atom contacts between two chains within a chosen cutoff distance. Oliv Ele

Re: [ccp4bb] looking for a program

2008-11-20 Thread Eleanor Dodson
Vellieux Frederic wrote: Dear Colleagues, I am looking for a program (if there is one...) that would allow to list all interactions at a dimer interface (polar, ie hydrogen bonds and salt bridges, and non polar). Thanks in advance for your replies. Best regards, Fred. Have you tried MSDpi

Re: [ccp4bb] looking for a program

2008-11-20 Thread Boaz Shaanan
Hi, Wouldn't ccp4/contacts and the website PISA do that for you ?     Boaz - Original Message - From: Vellieux Frederic <[EMAIL PROTECTED]> Date: Thursday, November 20, 2008 12:29 Subject: [ccp4bb] looking for a program To: CCP4BB@JISCMAIL.AC.UK > Dear Colleagues, >

[ccp4bb] looking for a program

2008-11-20 Thread Vellieux Frederic
Dear Colleagues, I am looking for a program (if there is one...) that would allow to list all interactions at a dimer interface (polar, ie hydrogen bonds and salt bridges, and non polar). Thanks in advance for your replies. Best regards, Fred. begin:vcard fn:Fred. Vellieux (Ph.D) n:Vellieux