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Some good part of the characterisation of promising drug-like compounds for their interaction with a larger protein can be done on computers. This package helps with getting collections of small ligands prepared to be fitted against a particular protein of known structure. That docking itself is then to be performed by autodock or autodock-vina.
Raccoon may not find the drug, but it may well find a lead to it. To have this package with Debian shall help smaller biochemistry labs and grants an opportunity for the general public to educate itself and/or actively join in to help the world .... just a bit.
raccoon for Debian ------------------ This package interlinks chemical ligand databases protein structure databases and the tools for ligand docking autodock, autodock-vina their preparation environment MGLTools so that a complete project can be performed that investigates many thousands of ligands against a single or multiple structures, demanding compute times of many years. -- Ste more»
RACCOON(1) RACCOON(1) NAME raccoon - preparation of ligand screening projects SYNOPSIS raccoon DESCRIPTION raccoon takes a ligand library and the crystal structure of a protein, forms many small jobs to investigate the energy gained by bringing the two together, and allows the submis‐ sion of suc more»
raccoon (1.0-1) unstable; urgency=low * Initial release (Closes: #630977) -- Steffen Moeller <email@example.com> Sun, 19 Jun 2011 13:20:27 +0200
Format: http://dep.debian.net/deps/dep5 Upstream-Name: raccoon Source: http://autodock.scripps.edu/r more»