/[debichem]/PROSPECTIVE_PACKAGES
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revision 3072 by mbanck, Sun Oct 30 11:54:40 2011 UTC revision 3073 by mbanck, Sun Oct 30 11:56:42 2011 UTC
# Line 85  AmberTools consists of several independe Line 85  AmberTools consists of several independe
85  by themselves, and with Amber itself. The suite can also be used to carry out  by themselves, and with Amber itself. The suite can also be used to carry out
86  complete (non-periodic) molecular dynamics simulations (using NAB), with  complete (non-periodic) molecular dynamics simulations (using NAB), with
87  generalized Born solvent models.  generalized Born solvent models.
88    
89    * OSRA
90    ** http://cactus.nci.nih.gov/osra/
91    ** GPLv2+
92    
93    OSRA is a utility designed to convert graphical representations of chemical
94    structures, as they appear in journal articles, patent documents, textbooks,
95    trade magazines etc., into SMILES or SD files - a computer recognizable
96    molecular structure format. OSRA can read a document in any of the over 90
97    graphical formats parseable by ImageMagick - including GIF, JPEG, PNG, TIFF,
98    PDF, PS etc., and generate the SMILES or SDF representation of the molecular
99    structure images encountered within that document.
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