It helps to keep the same water naming convention in all the complexes.
distang is a slow tool but it will list all contacts to a given set of atomic radii. I use that output a lot to check on interesting contacts..
But in the end it boils down to thoughtful book-keeping.. Eleanor On 06/14/2011 02:16 PM, Zhou, Tongqing (NIH/VRC) [E] wrote:
Dear CCP4 community, I have few conserved water-mediated interactions in different antibody:antigen complexes and I want to get a list of those. It's hard to keep track by eye inspection. Is there a program that can perform such kind of job? PISA does a nice job on interfaces by ignores water. Many thanks! Tongqing Tongqing Zhou, Ph.D. Staff Scientist Structural Biology Section Vaccine Research Center, NIAID/NIH Building 40, Room 4607B 40 Convent Drive, MSC3027 Bethesda, MD 20892 (301) 594-8710 (Tel) (301) 793-0794 (Cell) (301) 480-2658 (Fax) ****************************************************************************** The information in this e-mail and any of its attachments is confidential and may contain sensitive information. It should not be used by anyone who is not the original intended recipient. If you have received this e-mail in error please inform the sender and delete it from your mailbox or any other storage devices. National Institute of Allergy and Infectious Diseases shall not accept liability for any statements made that are sender's own and not expressly made on behalf of the NIAID by one of its representatives. ******************************************************************
