Re: [ccp4bb] wich program to test an alternative phaser solution

2008-01-15 Thread Randy J. Read
As suggested earlier, you can use the TOPFILES command to get Phaser to produce the files for more solutions. However, instead of rerunning the whole job, you can produce the PDB files alone by feeding the .sol file into a packing (MR_PAK) job, or both PDB and MTZ files by feeding the .sol file

Re: [ccp4bb] wich program to test an alternative phaser solution

2008-01-15 Thread Airlie McCoy
Alternatively, ask Phaser to output pdb and mtz files for both solutions with TOPFILES 2 Airlie On Jan 15 2008, Eleanor Dodson wrote: PDBSET xyzin model.pdb ROTA EULER a b c SHIFT FRAC tx ty tz CELL new cell end Vellieux wrote: Dear all, We have a phaser output with 2 alternative solutions

Re: [ccp4bb] wich program to test an alternative phaser solution

2008-01-15 Thread Savvas Savvides
al Message- From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of Vellieux Sent: Tuesday, January 15, 2008 10:44 AM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] wich program to test an alternative phaser solution Dear all, We have a phaser output with 2 alternative solutions. Not di

Re: [ccp4bb] wich program to test an alternative phaser solution

2008-01-15 Thread Eleanor Dodson
PDBSET xyzin model.pdb ROTA EULER a b c SHIFT FRAC tx ty tz CELL new cell end Vellieux wrote: Dear all, We have a phaser output with 2 alternative solutions. Not differing much by the statistics. Phaser provides the solution with the highest LLG. However I am not convinced by that solution.

[ccp4bb] wich program to test an alternative phaser solution

2008-01-15 Thread Vellieux
Dear all, We have a phaser output with 2 alternative solutions. Not differing much by the statistics. Phaser provides the solution with the highest LLG. However I am not convinced by that solution. What program should be used with the input PDB and the Euler angles and translation parameters