Re: [ccp4bb] RMSD value is different from O and superpose

2009-07-08 Thread Eleanor Dodson
Are the chains numbered differently? the SUPERPOSE LSQ program requires you to specify which residues to superpose. And any RMS is wildly distorted by a few outliers.. Look at the list of average differences to see if you have such a problem. The SSM superposition excludes outliers

[ccp4bb] RMSD value is different from O and superpose

2009-07-05 Thread peter hudson
Hello all I superposed the two different chain, which are two different subunits of the same structure which are different in conformation with two differen t programmes. 1) First is with O, with LSQ command, it gives the RMSD values for different chain is 1.5A for 108 ca atoms. 2) Second

Re: [ccp4bb] RMSD value is different from O and superpose

2009-07-05 Thread Artem Evdokimov
Of peter hudson Sent: Sunday, July 05, 2009 2:33 AM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] RMSD value is different from O and superpose Hello all I superposed the two different chain, which are two different subunits of the same structure which are different in conformation with two differen

Re: [ccp4bb] RMSD value is different from O and superpose

2009-07-05 Thread Pavel Afonine
Hi Peter, you can also try superposition option in phenix: phenix.superpose_pdbs [pdb_file_fixed] [pdb_file_moving] [parameter_file] where optionally you can provide atom selections for fixed and moving. Pavel. On 7/5/09 12:33 AM, peter hudson wrote: Hello all I superposed the two

Re: [ccp4bb] RMSD value is different from O and superpose

2009-07-05 Thread Paul Emsley
peter hudson wrote: Hello all I superposed the two different chain, which are two different subunits of the same structure which are different in conformation with two differen t programmes. 1) First is with O, with LSQ command, it gives the RMSD values for different chain is 1.5A for 108