Hi, The short answer is that you can't, but we want to add that ability (need to prioritize it with other requests). The slightly longer answer is that if you know Python, it's not too hard. in chimera/molEdit.py there is an addDihedralAtom() routine that allows you to add atoms given their chemical element along with distance, angle, and dihedral from other atoms (or from spatial positions). In that same file there is also an addBond() routine which allows you to add bonds. If there are only one or two functional groups you actually want to add, I could send you some code that would add them if you tell me which ones you need. If you really need a wide spectrum of groups, then I guess the short answer applies. Eric Pettersen UCSF Computer Graphics Lab pett@cgl.ucsf.edu http://www.cgl.ucsf.edu On Jun 27, 2005, at 3:24 PM, C. Parry wrote:
Hi Chimera Peoples -
My question is how does one append a functional group (say, nitro, bromine, ..., or metal) to a residue (say, tyrosine, ..., adenine). This would involve replacing some atom or group. I am aware of 'swapa,' 'swapna' commands but these are straight forward one-for-one changes of whole residues.
Thanks.
C. Parry
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