[Chimera-users] robust molecular surface calculation

Hurt, Darrell (NIH/NIAID) [E] darrellh at niaid.nih.gov
Thu Feb 21 07:07:45 PST 2013


>>http://www.mail-archive.com/pymol-users@lists.sourceforge.net/msg06658.ht
>>ml
>
>If I can vote, then I vote against Pymol's surface.
>It's just a hack, brute-force and inefficient algorithm (according to
>Waren Delano himself when you look into the subject on the net).

Francois is certainly correct. The link I cited in my first email is from
Warren and in it, he freely admitted that it is a "brute-force" approach.
I pointed out PyMOL simply because surfaces from PyMOL look different than
surfaces in any other viewer I know of. Despite their drawbacks
(computational and scientific), PyMOL surfaces tend to be visually
compelling. And given than PyMOL has been used so much in the literature,
maybe there is something to that.





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