A tool to calculate atoms exposition to a probe in a three dimensional molecule structure.
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1.1b1 (2006-07-17): * Added --all-atoms option * Output data can be extended using plugins * Added "core" viewer by Marco Dioguardi. 1.0 (2005-03-12): * Changed default atom radii according to Pearlman1995 (cfr. docs) * Included macro for MolMol atoms colouring 1.0b1 (2005-02-27): * Option -m removed (use --models) * Options --sampling, --lat-steps, --lon-steps removed * Option --rsteps removed: the new option --step sets a sampling step in angstroms; option --step renamed to --cstep * Default for --radius changed: if not specified (or the literal noinside), automatically select a sampling radius such that no atom has Di = 0 * Documentation included in the distribution * sadic.err created in the user's HOME * RunSadic.py script renamed to RunSadic; sadic.bat file renamed to RunSadic.bat. This way on both POSIX and Windows platform the program is run by typing "RunSadic". 0.6 (2005-02-18): * Entity can be read from stdin. * Test suite included in the distribution. * Default probe radius set to 1.4. * Default table-separator set to "/t". * HETATM list empty by default. * options renamed: * --model ==> --models * --res-seq ==> --residues * --radius alias for -r 0.5.1 (2005-02-02): * C implementation of Protein.is_inside(): about 60 times faster. 0.5 (2005-01-31): * added --format options. Formats can be table (default) or pdb. * options renamed: * --output-fmt ==> --table-fmt * --output-sep ==> --table-sep * --bare ==> --table-bare * average and standard deviation calculated for entities with more than one model. Use the option --no-totals to disable totals caculations. * .Z compressed entity files can be read. gzip binaries needed. * Sampling axis is rotated for each radial step. * Input reading optimized. 0.4 (2005-01-13): * Option -r/--rmin removed. Option -R/--rmax renamed to -r. * Default pdblist.conf correctly included into the distribution. * Script RunSadic.py installed into pythondir\Scripts instead of pythondir\site-package/sadic. 0.3 (2005-01-10): * changes logged from here
1.1b1 (2006-07-17): * Added --all-atoms option * Output data can be extended using plugins * Added "core" viewer by Marco Dioguardi. 1.0 (2005-03-12): * Changed default atom radii according to Pearlman1995 (cfr. docs) * Included macro for MolMol atoms colouring 1.0b1 (2005-02-27): * Option -m removed (use --models) * Options --sampling, --lat-steps, --lon-steps removed * Option --rsteps removed: the new option --step sets a sampling step in angstroms; option --step renamed to --cstep * Default for --radius changed: if not specified (or the literal noinside), automatically select a sampling radius such that no atom has Di = 0 * Documentation included in the distribution * sadic.err created in the user's HOME * RunSadic.py script renamed to RunSadic; sadic.bat file renamed to RunSadic.bat. This way on both POSIX and Windows platform the program is run by typing "RunSadic". 0.6 (2005-02-18): * Entity can be read from stdin. * Test suite included in the distribution. * Default probe radius set to 1.4. * Default table-separator set to "/t". * HETATM list empty by default. * options renamed: * --model ==> --models * --res-seq ==> --residues * --radius alias for -r 0.5.1 (2005-02-02): * C implementation of Protein.is_inside(): about 60 times faster. 0.5 (2005-01-31): * added --format options. Formats can be table (default) or pdb. * options renamed: * --output-fmt ==> --table-fmt * --output-sep ==> --table-sep * --bare ==> --table-bare * average and standard deviation calculated for entities with more than one model. Use the option --no-totals to disable totals caculations. * .Z compressed entity files can be read. gzip binaries needed. * Sampling axis is rotated for each radial step. * Input reading optimized. 0.4 (2005-01-13): * Option -r/--rmin removed. Option -R/--rmax renamed to -r. * Default pdblist.conf correctly included into the distribution. * Script RunSadic.py installed into pythondir\Scripts instead of pythondir\site-package/sadic. 0.3 (2005-01-10): * changes logged from here
1.1b1 (2006-07-17): * Added --all-atoms option * Output data can be extended using plugins * Added "core" viewer by Marco Dioguardi. 1.0 (2005-03-12): * Changed default atom radii according to Pearlman1995 (cfr. docs) * Included macro for MolMol atoms colouring 1.0b1 (2005-02-27): * Option -m removed (use --models) * Options --sampling, --lat-steps, --lon-steps removed * Option --rsteps removed: the new option --step sets a sampling step in angstroms; option --step renamed to --cstep * Default for --radius changed: if not specified (or the literal noinside), automatically select a sampling radius such that no atom has Di = 0 * Documentation included in the distribution * sadic.err created in the user's HOME * RunSadic.py script renamed to RunSadic; sadic.bat file renamed to RunSadic.bat. This way on both POSIX and Windows platform the program is run by typing "RunSadic". 0.6 (2005-02-18): * Entity can be read from stdin. * Test suite included in the distribution. * Default probe radius set to 1.4. * Default table-separator set to "/t". * HETATM list empty by default. * options renamed: * --model ==> --models * --res-seq ==> --residues * --radius alias for -r 0.5.1 (2005-02-02): * C implementation of Protein.is_inside(): about 60 times faster. 0.5 (2005-01-31): * added --format options. Formats can be table (default) or pdb. * options renamed: * --output-fmt ==> --table-fmt * --output-sep ==> --table-sep * --bare ==> --table-bare * average and standard deviation calculated for entities with more than one model. Use the option --no-totals to disable totals caculations. * .Z compressed entity files can be read. gzip binaries needed. * Sampling axis is rotated for each radial step. * Input reading optimized. 0.4 (2005-01-13): * Option -r/--rmin removed. Option -R/--rmax renamed to -r. * Default pdblist.conf correctly included into the distribution. * Script RunSadic.py installed into pythondir\Scripts instead of pythondir\site-package/sadic. 0.3 (2005-01-10): * changes logged from here
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