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Crystals
The software package for single crystal X-ray structure refinement and analysis consists of CRYSTALS, Cameron and specially recompiled versions of SIR92 and SHELXS.
http://www.xtl.ox.ac.uk/crystals.html
Ox.ac.uk ~
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AutoDock
AutoDock is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure.
http://www.scripps.edu/pub/olson-web/doc/autodock/
Scripps.edu ~
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ESPOIR
Open source software for solving crystal structures from powder diffraction data (or single crystal data) by Monte Carlo methods.
http://www.cristal.org/sdpd/espoir/
Cristal.org ~
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WinGX
System of programs for solving, refining and analysing single crystal X-ray diffraction data for small molecules. Provides a consistent and user-friendly GUI for some of the best publicly-available crystallographic programs. Interfaces to other popular p
http://www.chem.gla.ac.uk/~louis/software/wingx
Gla.ac.uk ~
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ARITVE
Modelling amorphous structures by a Rietveld-type refinement of the atomic coordinates. Windows 9x/NT platform.
http://www.cristal.org/aritve.html
Cristal.org ~
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CAOS
A crystallographic package for crystal structure determination from single crystal diffraction data.
http://www.ccp14.ac.uk/ccp/web-mirrors/caos/isc/caos/
Ccp14.ac.uk ~
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TOPXD
Topological analysis program for experimental static electron density based on Hansen-Coppens multipole formalism.
http://harker.chem.buffalo.edu/public/topxd/
Buffalo.edu ~
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