[chimera-dev] congratulations to the new beta release
pett at cgl.ucsf.edu
Wed Aug 14 14:52:50 PDT 2002
On Sunday, August 11, 2002, at 05:25 AM, C. Klein wrote:
> I have been writing to you before and you may remember that we
> communicated a bit about chimera. Now I have found the improved version
> on your www pages and would like to congratulate you on that. I
> especially like the new columns in the "model panel" with those
Naturally I remember since the checkboxes were your idea! I guess it
slipped my mind to send you a note when the 1516 release was out that
included them. Glad you like them.
> What I still find missing is the option to display atom
> numbers (as taken from the input file) as labels. This can often be
> handy, for example when defining rotatable bonds in small molecules for
> docking studies, or when editing pdb files by hand.
We will probably do something to accommodate this. The Chimera programmers
will likely have to get together and have a discussion since there are some
issues: not all input sources have serial numbers (e.g. gaussian files);
preservation of serial numbering on output (probably can't; if atoms get
added to a structure there may be no way to preserve the numbering [serial
numbers are by definition monotonically increasing]). Once we decide how
we want to proceed, then implementation shouldn't be too hard.
Feel free to let us know about any other things you might want/need.
Probably nothing would have happened about serial numbers if you hadn't
said something -- no one else had yet mentioned needing it. Good to hear
from you again, btw.
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