ccp4bb  

Re: [ccp4bb] Alternatives to ChemDraw 3D

Rotem Sertchook
Mon, 08 Feb 2010 23:44:06 -0800

There are several more options to create 3D coordinates from it's 2D drawing:

You can build any 3D molecule easily in Discovery Studio Visualizer - It is free but not for Mac OS

there is nice server called Frog, that convert 2D to 3D and can build set of conformers http://bioserv.rpbs.jussieu.fr/cgi-bin/Frog2 Corina is another server that do simple 2D to 3D conversion http:// www.molecular-networks.com/online_demos/corina_demo and you have the PRODRG server http://davapc1.bioch.dundee.ac.uk/ prodrg/ that can convert 2D to 3D and in addition can create topology file in many formats (e.g GROMACS, CNS...). PRODRG support only common atom types (N, C, O, S, P, Cl, I, Br, F)


Rotem




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Rotem Sertchook, Ph.D.
Bioinformatics Unit, Biological Services
Weizmann Institute of Science,
Rehovot 76100, Israel.
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