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| RCODE |
| Calculation of molecular descriptors
derived from the 3D radial distribution function (RDF)
of atoms. |
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Features |
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| Features |
Description |
| input
file format |
CTX file |
| output
file format |
CTX file
TSV: tab separated file format
for import into spreadsheets and other applications |
| RDF properties |
computes RDF from
a variety of physicochemical effects, such as atom
type, atom charges or atom polarizability |
| speed
and reliability |
handles
properly any organic compound
processes a data set of 100,100 small
to medium-sized molecules in 1,757 sec on a 1.0 GHz workstation
(18 ms/cpd, 100% conversion rate) |
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User Interface
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| Command line interface supporting
batch mode |
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System Requirements |
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- Microsoft Windows NT/2000/XP
- SUSE Linux (Release 8/9, Kernel 2.4/2.6 for x86, AMD64)
- Red Hat Linux 8, 9, Enterprise (Kernel 2.4/2.6 for x86)
- Sun SPARC, Solaris 2.6 or higher
- Silicon Graphics, IRIX 6.5
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