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
On 01/22/2012 06:47 PM, REX PALMER wrote:
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
http://www.bbk.ac.uk/biology/our-staff/emeritus-staff
http://rexpalmer2010.homestead.com
