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| CORINA |
| Generation of 3D coordinates. |
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Features |
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| Features |
Description |
| input
file format |
SD/RDFile, SMILES,
SYBYL MOL/MOL2, MacroModel, Maestro, CTX file |
| output
file format |
SD/RDFile, SYBYL
MOL/MOL2, PDB, MacroModel, Maestro, CIF, CTX file
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| conformer
generation |
generates high-quality,
low-energy conformations (default)
optionally generates multiple conformations
for ring systems |
| stereo
information |
handles properly
stereochemical information
optionally generates stereoisomers |
| structure
orientation |
structures can be
oriented as a function of their principal moments
of inertia |
| structure
control |
includes structure
clean-up features |
| speed
and reliability |
handles
a broad range of organic chemistry and organometallic
compounds with atoms of up to a coordination number
of 6
processes a data set of 100,100 small
to medium-sized molecules in 2,301 sec on a 1.0 GHz workstation
(23 ms/cpd, 99,99% conversion rate) |
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User Interface
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- Command line interface supporting batch mode
- Component for
- Java-based graphical user interface CORINA.direct to trigger the command line version
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System Requirements |
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- Microsoft Windows 2000/XP (win32)
- SUSE x86 Linux (release 8/9, kernel 2.4/2.6, AMD64 on request)
- RedHat x86 Linux 8, 9, Enterprise (kernel 2.4/2.6)
- Sun SPARC, Solaris 8 (SunOS 5.8) or higher
- Silicon Graphics, MIPS, IRIX 6.5
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Additional Info |
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Downloadable PDFs
- (150 kB)
- (133 kB)
- (705 kB)
- (186 kB)
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| A demo version is available on request.
Please register yourself for our .
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