From: REX PALMER
Date: 22 January 2012 18:47
Can anyone recommend a program that will search a crystal structure for CH---N, CH---O and CH---C
contacts by applying space group symmetry and lattice translations.
I also need the geometry and symmetry operations in each case to be output.
Rex Palmer
----------
From: Eleanor Dodson
You can use Ncont or distang to get all contacts then farm the output for ones you want.. By N O ansd C do you mean main chain atoms only or all such links?
I am a great grep expert to do things such as this.
Eleanor
No comments:
Post a Comment