1,328
edits
Phenix: Difference between revisions
→phenix.phaser
| Line 138: | Line 138: | ||
This is an [[params.eff|example]] of params.eff. | This is an [[params.eff|example]] of params.eff. | ||
Another example, this time for just doing rigid-body refinement (say, for transferring a model to a crystal with slightly different cell parameters): | |||
<pre> | |||
#!/bin/csh -f | |||
rm rigid.1.pdb rigid.1.mtz | |||
phaser<<eof | |||
TITLE rigid body | |||
MODE MR_RNP | |||
ROOT rigid | |||
JOBS 1 | |||
HKLIN myprotein.mtz | |||
LABIN F=FP SIGF=SIGFP | |||
# use a preliminary refined model | |||
ENSEMBLE ensemble1 PDB mybestmodel.pdb IDENT 1.5 | |||
COMPOSITION BY COMPONENT | |||
COMPOSITION PROTEIN NRES 2000 NUMBER 1 | |||
SOLUTION ORIGIN ENSEMBLE ensemble1 | |||
eof | |||
</pre> | |||
=== [http://www.phenix-online.org/documentation/sculptor.htm phenix.sculptor] - automate selection and editing of molecular replacement (MR) models === | === [http://www.phenix-online.org/documentation/sculptor.htm phenix.sculptor] - automate selection and editing of molecular replacement (MR) models === | ||