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

[ccp4bb] CALL FOR ESRF SYNCHROTRON BEAM TIME WITH ONLINE,DEHUMIDIFIER AT BEAMLINE ID14-2

2009-07-05 Thread David FLOT
CALL FOR ESRF SYNCHROTRON BEAM TIME WITH ONLINE DEHUMIDIFIER AT BEAMLINE ID14-2 Proposal Submission Deadline: 20th July 2009 Beamtime will be available in two periods of three days

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 dif

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

2009-07-05 Thread Artem Evdokimov
Peter, Depending on the method implemented in one software or another - I wouldn't be surprised if some of them fall into local minima during gradient optimization for best fit. Depending on how you define the region of interest, there may also be ambiguity with respect to pair definition - thi

[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 program