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Report on the intrapeptide hydrogen bonds, hydrophobic interactions, ionic interactions, and disulfide bonds using geometric (not quantum mechanical) calculations of atomic positions in a pdp file.

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intrapeptideContacts

Report on the intrapeptide hydrogen bonds, hydrophobic interactions, ionic interactions, and disulfide bonds using geometric (not quantum mechanical) calculations of atomic positions in a pdp file. This is a work in progress. For the definition of a hydrogen bond, the algorithm of Stickle et al. J Mol Biol. 1992 Aug 20;226(4):1143-59 is used.

Requirements

Python2.7

git submodule update --init

Usage

To run unit tests do

go test

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Report on the intrapeptide hydrogen bonds, hydrophobic interactions, ionic interactions, and disulfide bonds using geometric (not quantum mechanical) calculations of atomic positions in a pdp file.

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