http://wiki.docking.org/index.php?action=history&feed=atom&title=ShowsphereShowsphere - Revision history2026-04-05T05:07:01ZRevision history for this page on the wikiMediaWiki 1.39.1http://wiki.docking.org/index.php?title=Showsphere&diff=5862&oldid=prevFrodo at 04:24, 14 February 20142014-02-14T04:24:04Z<p></p>
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<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><del style="font-weight: bold; text-decoration: none;">3.6. </del>Showsphere</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>Showsphere</div></td></tr>
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<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><del style="font-weight: bold; text-decoration: none;"> </del>AUTHORS: Stuart Oatley , Elaine Meng , Daniel Gschwend</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>AUTHORS: Stuart Oatley , Elaine Meng , Daniel Gschwend</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><del style="font-weight: bold; text-decoration: none;"> </del>USAGE: showsphere [< input.in]</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"> </ins>USAGE: showsphere [< input.in]</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><del style="font-weight: bold; text-decoration: none;"> </del>DESCRIPTION<del style="font-weight: bold; text-decoration: none;">:</del></div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>DESCRIPTION</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><del style="font-weight: bold; text-decoration: none;"> </del>Showsphere is an interactive program; it produces a PDB-format file of sphere centers and an MS-like file of sphere surfaces, given the sphere cluster file and cluster number. The surface file generation is optional. The user may specify one cluster or all, and multiple output files will be generated, with the cluster number appended to the end of the name of each file. The input cluster file is created using sphgen (see sphgen). Showsphere requests the name of the sphere cluster file, the number of the cluster of interest, and names for the output files. Information is sent to the screen while the spheres are being read in, and while the surface points are being calculated. If the input parameters are known, they can be listed in an input file and piped into the program.</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>Showsphere is an interactive program; it produces a PDB-format file of sphere centers and an MS-like file of sphere surfaces, given the sphere cluster file and cluster number. The surface file generation is optional. The user may specify one cluster or all, and multiple output files will be generated, with the cluster number appended to the end of the name of each file. The input cluster file is created using sphgen (see sphgen). Showsphere requests the name of the sphere cluster file, the number of the cluster of interest, and names for the output files. Information is sent to the screen while the spheres are being read in, and while the surface points are being calculated. If the input parameters are known, they can be listed in an input file and piped into the program.</div></td></tr>
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</table>Frodohttp://wiki.docking.org/index.php?title=Showsphere&diff=4386&oldid=prevTherese: 1 revision2012-10-08T20:32:24Z<p>1 revision</p>
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</td></tr></table>Theresehttp://wiki.docking.org/index.php?title=Showsphere&diff=4385&oldid=prevJohnIrwin at 23:07, 19 September 20062006-09-19T23:07:58Z<p></p>
<p><b>New page</b></p><div>3.6. Showsphere<br />
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AUTHORS: Stuart Oatley , Elaine Meng , Daniel Gschwend<br />
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USAGE: showsphere [< input.in]<br />
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DESCRIPTION:<br />
<br />
Showsphere is an interactive program; it produces a PDB-format file of sphere centers and an MS-like file of sphere surfaces, given the sphere cluster file and cluster number. The surface file generation is optional. The user may specify one cluster or all, and multiple output files will be generated, with the cluster number appended to the end of the name of each file. The input cluster file is created using sphgen (see sphgen). Showsphere requests the name of the sphere cluster file, the number of the cluster of interest, and names for the output files. Information is sent to the screen while the spheres are being read in, and while the surface points are being calculated. If the input parameters are known, they can be listed in an input file and piped into the program.</div>JohnIrwin