Dear Wehne,
Have you looked at the CCP4 program watertidy … I think it does what you want
(but I have not used it myself).
Andrew
On 3 Jul 2014, at 04:42, Wenhe wenhezhong.xmu@gmail.com wrote:
Dear CCP4BB members,
I want to keep the chain ID of water molecules the same as their
Hi Wenhe,
The ccp4 program sortwater will perform this task.
Philip
On Wed, Jul 2, 2014 at 11:42 PM, Wenhe wenhezhong.xmu@gmail.com wrote:
Dear CCP4BB members,
I want to keep the chain ID of water molecules the same as their
interacting protein molecule. For example, I have two
Dear CCP4BB members,
I want to keep the chain ID of water molecules the same as their interacting
protein molecule. For example, I have two protein molecules in the structure ——
named chain A and chain B; then I want all the water molecules interacting with
protein A (or B) have the same chain
