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TODO: Atom and Residue Protrusion Calculator

The Cx algorithm by Pintar et al (2002) is used to rapidly calculate the protrusion of atoms. It can also be generalised to apply to the protrusion of residue (or general atom groups). There are ...

Id #3 | Release: None | Updated: Oct 12, 2013 at 12:05 AM by CalemBendell | Created: Oct 12, 2013 at 12:05 AM by CalemBendell

TODO: Electrostatic Potential Calculator

The calculation of an electrostatic potential grid for a molecule is a well solved problem. Such functionality is provided most prominently by APBS (many other packages provide this, but most of t...

Id #2 | Release: None | Updated: Oct 11, 2013 at 9:22 PM by CalemBendell | Created: Oct 11, 2013 at 9:22 PM by CalemBendell

TODO: Molecular Surface Calculator

A molecular surface calculator that gives solvent accessible or solvent excluded surface area per atom and per residue is highly desirable. A surface mesh is also desirable as many other calculati...

Id #1 | Release: None | Updated: Oct 11, 2013 at 9:09 PM by CalemBendell | Created: Oct 11, 2013 at 9:09 PM by CalemBendell

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