[ccp4bb] Arp/Warp in Ubuntu

2009-10-25 Thread SHANG Yuan
Hi, Does anyone know how to Plugging ARP/wARP GUI into CCP4i interface? I followed http://www.embl-hamburg.de/arp-cgi-bin/FAQ7.0_1.pl, but always get a warning "Can not get environment variable for wardoc" with a subsequent Application Error "Error:bad window path name \".warning..." Under Ubun

[ccp4bb] How to compare the binding affinity between two domains structurally?

2009-10-25 Thread Joe
Hi, Recently we determined two structures of the same protein in complex with different molecules. The protein contains two domains (called domain A and B here). In the two structures, domain A and B have different arrangements relative to each other, resulting different interaction interface.

Re: [ccp4bb] CNS problem: writing trajectories

2009-10-25 Thread Sven SchüŸnke
Dear ccp4 community, I started new approach appart from the primary idea writing out trajectories *within* "the dynamics torsion function". Now, writing trajectories *after* each "dynamics torsion function" works fine for a simple movie-illustration! :o) Special thanks to Dr. Gunnar Schroeder an