AWESOME!!!!!! :) :) :) Thanks v much. this was doing my head in for the last hour or so!!! On Sat, Nov 21, 2015 at 1:40 AM, Elaine Meng <meng@cgl.ucsf.edu> wrote:
Hi George, Unfortunately the TIP4EW atoms are not recognized as H-bonding. You would have to delete the 4th point and remove the H1-H2 bond for them to be recognized as such. For example, commands:
del @epw ~bond @h1,h2
Then running FindHBond or its command works, at least for me. I hope this helps, Elaine ----- Elaine C. Meng, Ph.D. UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab Department of Pharmaceutical Chemistry University of California, San Francisco
On Nov 20, 2015, at 5:29 PM, George Green <soyo.green@gmail.com> wrote:
Hi, Know this has been a while, but just came back to it after a long while. Got most of your suggestions working, but cannot get water-water hbonds going. After some investigation, I think this could be due to the fact that I'm using TIP4-EW water. Reason is that I got water-water hbonds working with TIP3 and after trying lots of permutations cannot get this going.
My current per-frame script command for showing Hbonds is: select :159-165.*; hbonds line 5 color gold selRestrict any reveal true; ~select setattr p color gold :159-165.*; setattr g lineType 1
This works fine in that hbonds between water and protein/ligand residues are shown, but none between the water which is a problem.
Any advice would be greatly appreciated. :)