On Sunday, August 11, 2002, at 05:25 AM, C. Klein wrote:
Hello,
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 checkboxes.
Hi Chris, 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. --Eric