AMBER Archive (2006)

Subject: AMBER: xleap

From: Steve Seibold (seibold_at_chemistry.msu.edu)
Date: Tue Nov 28 2006 - 08:33:48 CST

Hi

I have a very simple question.

Is there a way to change HIE to HID "in" xleap? That is without going
"edit unit". I have looked at "help" in xleap, but cannot determine if I
can do this or not.

I realize I could just change the pdb file, but I already have whole
molecule (very large!) with metals etc coordinated to residues etc in
xleap and was hoping not to have to scratch all the work to go back to
pdb file.

 

Cheers, Steve

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu