[Chimera-users] Zones to create inspector list of "contacts"
gjacobs at bioinfotools.com
Wed Mar 23 21:17:01 PST 2005
Thanks for your replies - prompt as always!
I was looking for something close to Tom's code (thanks). The reason
I mentioned Select:Zones was it occurred to me that this must be
determining the information I was looking for internally (and hence
that it might be little work to present an option for the user to
have this information presented as pseudo-bonds).
I'll try modify Tom's code to what I want (which is only slightly
different). Python is new to me, but I'll manage fine with the demo
code in hand.
While I'm writing, the programmer's examples or reference aren't on
the website for either the latest release or the production release.
There is no doc subdirectory in the 1.2 releases I've got locally,
although programmer's docs are available for the 1.18 releases on the
website. For the minor league hacking I'll be doing I'll get by on
the old docs, but thought you might like to know if you didn't
> Below is some Python code that will create pseudobonds between all
>pairs of selected atoms from different molecules that are within 3 angstroms.
>It is quite slow for large sets of selected atoms. It could be made much
>faster but I chose to keep it simple.
Grant Jacobs Ph.D. BioinfoTools
ph. +64 3 478 0095 (office, after 10am) PO Box 6129,
or +64 27 601 5917 (mobile) Dunedin,
gjacobs at bioinfotools.com NEW ZEALAND.
Bioinformatics tools: deriving knowledge from biological data
Bioinformatics tools - software development - consulting - training
Check out the website for more details: http://www.bioinfotools.com
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