On 4/19/2012 10:00 AM, Eleanor Dodson wrote:
1) Phaser is very prone to reject solutions because of packing clashes..
(PS How do you reset the packing limit in the current GUI?)
Good question! There used to be a box in CCP4-6.1.13 that allowed you to
change the number of allowed clashes, which was very helpful when you
had badly conforming loops in the search model. (Which of course you may
not know until after the fact.) I also notice the missing setting in 6.2.0.
I suppose you can always supply the keywords and values manually, but
that seems a little kludgy when we could have a dialog box in the main GUI.
Cheers,
_______________________________________
Roger S. Rowlett
Gordon & Dorothy Kline Professor
Department of Chemistry
Colgate University
13 Oak Drive
Hamilton, NY 13346
tel: (315)-228-7245
ofc: (315)-228-7395
fax: (315)-228-7935
email: rrowl...@colgate.edu
