Re: [ccp4bb] superpose bug?

2014-11-19 Thread Eugene Krissinel
Subject: [ccp4bb] superpose bug? Hi: I have a bunch of pdb files and would like to superpose them to one of them based on secondary structure matching. I would like to get a script to do so (not a one-by-one job by hand). I tried superpose but it seemed to have some problems with output option

Re: [ccp4bb] superpose bug?

2014-11-19 Thread Tim Gruene
From: Lijun Liu [lijunli...@gmail.com] Sent: Wednesday, November 19, 2014 12:17 AM To: ccp4bb Subject: [ccp4bb] superpose bug? Hi: I have a bunch of pdb files and would like to superpose them to one of them based on secondary structure matching. I would like to get a script to do so

Re: [ccp4bb] superpose bug?

2014-11-19 Thread Eugene Krissinel
Yes, certainly, guilty as sin :) Thanks, Eugene From: Tim Gruene [t...@shelx.uni-ac.gwdg.de] Sent: Wednesday, November 19, 2014 11:22 AM To: Krissinel, Eugene (STFC,RAL,SC); ccp4bb Subject: Re: [ccp4bb] superpose bug? Hi Eugene, would you update

[ccp4bb] superpose bug?

2014-11-18 Thread Lijun Liu
Hi: I have a bunch of pdb files and would like to superpose them to one of them based on secondary structure matching. I would like to get a script to do so (not a one-by-one job by hand). I tried superpose but it seemed to have some problems with output option. Assuming C.pdb is the output