Dear Rex, if you display hydrogens in Pymol you should be able to draw distances between any atoms (select the 2 atoms of interest with Ctrl + middle mouse, and type "distance" into the command line). However, one should obviously keep in mind the geometry of the free electron pairs to which H-bonds can be donated. See for example Fig. 1 in C-H...O hydrogen bonds in the nuclear receptor RARgamma--a potential tool for drug selectivity.<http://www.ncbi.nlm.nih.gov/pubmed/12220491> Structure. 2002 Sep;10(9):1197-204.
HTH, Bruno De : CCP4 bulletin board [mailto:[email protected]] De la part de REX PALMER Envoyé : Thursday, December 01, 2011 12:22 PM À : [email protected] Objet : [ccp4bb] Displaying CH---N weak hydrogen bonds I am looking for a program that will display weak CH---N bonds. The programs I know about only display classical hydrogen bonds such as OH---N etc. Any suggestions please? Rex Palmer http://www.bbk.ac.uk/biology/our-staff/emeritus-staff http://rexpalmer2010.homestead.com
