Edward d'Auvergne wrote:
It would be better if Molmol simply recognised the CONECT records.
Maybe we can ask them to add the basic feature - I'm sure many people
would be happy if their organic molecules were correctly loaded into
Molmol without having to do any additional work.
The problem is that molmol is not really under active development, reto
has for along time worked at tripos I believe and mainly just does
maintenance....
(now of coure if you sent him a patch ;-) )
regards
gary
The complexity of
stitching up the uniform distribution of vectors shouldn't need to be
repeated. However it could be made into a function that the
'molmol.tensor_pdb()' user function (in the 'tensor_pdb' branch) then
calls.
Edward
--
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Dr Gary Thompson
Astbury Centre for Structural Molecular Biology,
University of Leeds, Astbury Building,
Leeds, LS2 9JT, West-Yorkshire, UK Tel. +44-113-3433024
email: garyt@xxxxxxxxxxxxxxx Fax +44-113-2331407
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Re: Cool pictures of the Brownian rotational diffusion tensor in PyMOL.