Re: [ccp4bb] rmsd calculation. .

2007-05-10 Thread Kerr, Iain
Hi Jenny, You can do this in LSQMAN (if I'm understanding your question correctly...) You'd first superimpose the residues in the "fixed region" to give a superimposed core using the 'EXplicit' command, eg: LSQMAN > ex m1 Range 1 ? (A1-10) "a4-10 a19-23 a28-36 a44-51 a53-66 a91-97 a106

Re: [ccp4bb] . .

2007-05-11 Thread Kerr, Iain
Hi Emmanuel, Perhaps a little more information ? What was the Z-score and LLG in PHASER ? I take it the translation function solution is fairly well separated from the rest ? Are you sure the spacegroup is correct ? How complete is the model before refinement ? Not to be paranoid, but Hexagona

Re: [ccp4bb] quick question.... .

2007-05-11 Thread Kerr, Iain
Hi Jim, MAPMAN from the Uppsala software factory will do this. > re m1 ccp4.map (FORMAT) CCP4 > wr m1 xplor.map (FORMAT) X-PLOR Check the new map is written out on the same scale, just talking to a colleague I can't recall if any additional commands are required... Best, Iain -Original