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mol2sph

Andrew Good
Takes MOL2 format files and converts them into sphgen format files, allowing automatic coloring of the receptor. Currently, N.3 atoms are classed as H-bond donors, O.3 as H-bond acceptors, and S.3 as hydrophobes, but these color setting can be changed to user preferences by simply hacking the file. The charge value can also be used to assign critical clusters, with the critical cluster number equal to the truncated value of the charge.

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Curator: Daniel Gschwend, gschwend@cgl.ucsf.edu (rev. 1 September 1995)