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Chemcraft - Help

<HTML> <HEAD> <meta http-equiv="Content-Language" content="en-us"> <TITLE>Chemcraft - Help</TITLE> <meta name="Description" CONTENT="A convenient graphical program for working with quantum chemistry calculations. Provides visualization of Gaussian/Orca/Molpro output files, useful utilities for preparing new jobs for calculation."> </HEAD> <BODY BGCOLOR=#F3F3F3> <div align="center"> <TABLE WIDTH=710 BORDER=1 CELLPADDING=0 CELLSPACING=0 bordercolor="#FFFFFF" bgcolor="#FFFFFF"> <TR> <TD rowspan=3 height="200" width="129" bordercolor="#808080"> <p><font size="4"><IMG SRC="images/molecule.jpg" width=123 height=200 align="top">&nbsp;</font></p></TD> <TD COLSPAN=7 height="130" width="534" bordercolor="#808080"> <p align="center"> <font size="4"> <IMG SRC="images/title.jpg" width=427 height=129 align="center"></font></p></TD> </TR> <TR> <td width="87" height="35" align=center bordercolor="#808080"><a href="index.html" class="menu"><font size="4">Main</font></a></td> <td width="85" height="35" align=center bordercolor="#808080"><a href="news.html" class="menu"><font size="4">News</font></a></td> <td width="126" height="35" align=center bordercolor="#808080"><a href="description.html" class="menu"><font 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align=center bordercolor="#808080"><a href="about.html" class="menu"><font size="4">About Us</font></a></td> <td width="98" height="35" align=center bordercolor="#808080"><a href="links.html" class="menu"><font size="4">Links</font></a></td> <td width="86" height="35" align=center bordercolor="#808080"><a href="forum.html" class="menu"><font size="4">Forum</font></a></td> <td width="80" height="35" align=center bordercolor="#808080"><a href="citation.html" class="menu"><font size="4">Citation</font></a></td> </TR> <TR> <TD colspan="8" height="405" valign="top" width="677"><font size="4"><br> </font> <blockquote> <center> <h2 style="mso-layout-grid-align:none;text-autospace:none"><b><span lang="EN-US" style="font-family:&quot;Times New Roman CYR&quot;;mso-ansi-language:EN-US"><font size="4">Chemcraft help</font> </span></b></h2> </center> <center> </center> <p class="MsoNormal" style="mso-layout-grid-align:none;text-autospace:none" align="left"><b><span lang="EN-US" style="font-family:&quot;Times New Roman CYR&quot;;mso-ansi-language:EN-US"><font size="4"><o:p> &nbsp;</font> </span></b></p> <p class="MsoNormal" align="left"><span lang="EN-US" style="mso-ansi-language:EN-US"><font size="4"><o:p><a href="help/ccbasicinfo.html">Chemcraft basic information</a> </font> </span></p> <p class="MsoNormal" align="left"><font size="4">&nbsp;</font></p> <p class="MsoNormal" align="left"><span lang="EN-US" style="mso-ansi-language:EN-US"><font size="4"></o:p><b>Common topics</b></font></span></p> <p class="MsoNormal" align="left"><span style="mso-ansi-language: EN-US" lang="EN-US"><a href="help/interfacenotes.html"><font size="4">Interface notes</font></a></span></p> <p class="MsoNormal" align="left"><span style="mso-ansi-language: EN-US" lang="EN-US"><a href="help/constrmol.html"><font size="4">Constructing molecules</font></a></span></p> <p class="MsoNormal" align="left"><span style="mso-ansi-language: EN-US" lang="EN-US"><a href="help/workwithmolfrag.html"><font size="4">Working with molecular fragments</font></a></span></p> <p class="MsoNormal" align="left"><span style="mso-ansi-language: EN-US" lang="EN-US"><a href="help/workwithcubes.html"><font size="4">Working with cubes</font></a></span></p> <p class="MsoNormal" align="left"><span style="mso-ansi-language: EN-US" lang="EN-US"><a href="help/workwithcryst.html"><font size="4">Working with crystallography files</font></a></span></p> <p class="MsoNormal" align="left"><span style="mso-ansi-language: EN-US" lang="EN-US"><a href="help/obtainpics.html"><font size="4">Obtaining publication-ready pictures</font></a></span></p> <p class="MsoNormal" align="left"><font size="4">&nbsp;</font></p> <p class="MsoNormal" align="left"><span style="mso-ansi-language: EN-US" lang="EN-US"><b><font size="4">Chemcraft windows</font></b></span></p> <p class="MsoNormal" align="left"><span style="mso-ansi-language: EN-US" lang="EN-US"><a href="help/consed.html"><font size="4">Console editor</font></a></span></p> <p class="MsoNormal" align="left"><span style="mso-ansi-language: EN-US" lang="EN-US"><a href="help/prefwindow.html"><font size="4">Preferences window</font></a></span></p> <p class="MsoNormal" align="left"><span style="mso-ansi-language: EN-US" lang="EN-US"><a href="help/gamessinputwindow.html"><font size="4">GAMESS input creation window</font></a></span></p> <p class="MsoNormal" align="left"><span style="mso-ansi-language: EN-US" lang="EN-US"><a href="help/zmated.html"><font size="4">Z-matrix builder</font></a></span></p> <p class="MsoNormal" align="left"><span style="mso-ansi-language: EN-US" lang="EN-US"><a href="help/animwindow.html"><font size="4">Animation window</font></a></span></p> <p class="MsoNormal" align="left"><span style="mso-ansi-language: EN-US" lang="EN-US"><a href="help/atpropstable.html"><font size="4">Atomic properties table</font></a></span></p> <p class="MsoNormal" align="left"><span style="mso-ansi-language: EN-US" lang="EN-US"><a href="help/printmos.html"><font size="4">Printing molecular orbitals in input format</font></a></span></p> <p class="MsoNormal" align="left"><span style="mso-ansi-language: EN-US" lang="EN-US"><a href="help/chooseorbswindow.html"><font size="4">Choose molecular orbitals window</font></a></span></p> <p class="MsoNormal" align="left"><span style="mso-ansi-language: EN-US" lang="EN-US"><a href="help/setpointgroupwindow.html"><font size="4">Apply point group window</font></a></span></p> <p class="MsoNormal" align="left"><span style="mso-ansi-language: EN-US" lang="EN-US"><a href="help/custompredefbasis.html"><font size="4">Customizing pre-defined basis sets window</font></a></span></p> <p class="MsoNormal" align="left"><span style="mso-ansi-language: EN-US" lang="EN-US"><a href="help/converbetwfraccart.html"><font size="4">Conversion between fractional and Cartesian coordinates</font></a></span></p> <p class="MsoNormal" align="left"><span style="mso-ansi-language: EN-US" lang="EN-US"><a href="help/occscalcwindow.html"><font size="4">Occupancies calculator window</font></a></span></p> <p class="MsoNormal" align="left"><span style="mso-ansi-language: EN-US" lang="EN-US"><a href="help/structcomparerwindow.html"><font size="4">Structures Comparer window</font></a></span></p> <p class="MsoNormal" align="left"><span style="mso-ansi-language: EN-US" lang="EN-US"><a href="help/moendiag.html"><font size="4">MO energies diagram window</font></a></span></p> <p class="MsoNormal" align="left"><span style="mso-ansi-language: EN-US" lang="EN-US"><a href="help/fragsextrwindow.html"><font size="4">Fragments extractor window</font></a></span></p> <p class="MsoNormal" align="left"><span style="mso-ansi-language: EN-US" lang="EN-US"><a href="help/fileassociatewindow.html"><font size="4">Chemcraft file associations window</font></a></span></p> <p class="MsoNormal" align="left"><font size="4"> <a href="help/3dscan.html">3d scan graph window</a></font></p> <p class="MsoNormal" align="left"><font size="4"><a href="help/peakareacalculator.html">Peak area calculator window</a></font></p> <p class="MsoNormal" align="left"><font size="4"><a href="help/massspeccalculator.html">Mass spectrum calculator window</a></font></p> <p class="MsoNormal" align="left"><font size="4"><a href="help/oldgraphsdigitizerwindow.html">Old graphs digitizer window</a></font></p> <p class="MsoNormal" align="left">&nbsp;</p> <p class="MsoNormal" align="left"><span style="mso-ansi-language: EN-US" lang="EN-US"><b><font size="4">Chemcraft menus</font></b></span></p> <p class="MsoNormal" align="left"><span style="mso-ansi-language: EN-US" lang="EN-US"><a href="help/filemenu.html"><font size="4">File menu</font></a></span></p> <p class="MsoNormal" align="left"><span style="mso-ansi-language: EN-US" lang="EN-US"><a href="help/editmenu.html"><font size="4">Edit menu</font></a></span></p> <p class="MsoNormal" align="left"><span style="mso-ansi-language: EN-US" lang="EN-US"><a href="help/viewmenu.html"><font size="4">View menu</font></a></span></p> <p class="MsoNormal" align="left"><span style="mso-ansi-language: EN-US" lang="EN-US"><a href="help/dispmenu.html"><font size="4">Display menu</font></a></span></p> <p class="MsoNormal" align="left"><span style="mso-ansi-language: EN-US" lang="EN-US"><a href="help/toolsmenu.html"><font size="4">Tools menu</font></a></span></p> <p class="MsoNormal" align="left"><span style="mso-ansi-language: EN-US" lang="EN-US"><a href="help/computationalmodule.html"><font size="4">Computation menu</font></a></span></p> <p class="MsoNormal" align="left"><span style="mso-ansi-language: EN-US" lang="EN-US"><a href="help/helpmenu.html"><font size="4">Help menu</font></a></span></p> <p class="MsoNormal" align="left"><span style="mso-ansi-language: EN-US" lang="EN-US"><a href="help/jobtoolsmenu.html"><font size="4">Job tools menu (left-bottom)</font></a></span></p> <p class="MsoNormal" align="left"><span style="mso-ansi-language: EN-US" lang="EN-US"><a href="help/toolsleftbottommenu.html"><font size="4">Tools menu (left-bottom)</font></a></span></p> <p class="MsoNormal" align="left"><span style="mso-ansi-language: EN-US" lang="EN-US"><a href="help/crysttoolsmenu.html"><font size="4">Crystallography tools menu (left-bottom)</font></a></span></p> <p class="MsoNormal" align="left">&nbsp;</p> <p class="MsoNormal" align="left"></p> <p class="MsoNormal" align="left"></p> <p class="MsoNormal" align="left"><span style="mso-ansi-language: EN-US" lang="EN-US"><b><font size="4">Misc. topics (Chemcraft windows)</font></b></span></p> <p class="MsoNormal" align="left"><span style="mso-ansi-language: EN-US" lang="EN-US"><a href="help/spectrumwindow.html"><font size="4">Spectrum visualization window</font></a></span></p> <p class="MsoNormal" align="left"><span style="mso-ansi-language: EN-US" lang="EN-US"><a href="help/colldiamwindow.html"><font size="4">Compute collision diameter window</font></a></span></p> <p class="MsoNormal" align="left"><span style="mso-ansi-language: EN-US" lang="EN-US"><a href="help/structcombinerwindow.html"><font size="4">Structures combiner window</font></a></span></p> <p class="MsoNormal" align="left"><font size="4"> <a href="help/paramscalculator.html">Geometrical parameters calculator (planes and vectors)</a></font></p> <p class="MsoNormal" align="left"><font size="4"><a href="help/madcalculator.html">Mean absolute deviations for a linear fit calculator</a></font></p> <p class="MsoNormal" align="left"><font size="4"><a href="help/thermodfuncscalculator.html">Thermodynamic functions calculator</a></font></p> <p class="MsoNormal" align="left">&nbsp;</p> <p class="MsoNormal" align="left"><font size="4">&nbsp;</font></p> <p class="MsoNormal" align="left">&nbsp;</p> <p class="MsoNormal" align="left">&nbsp;</p> <p class="MsoNormal" align="left">&nbsp;</p> </blockquote> </TD> </TR> </TABLE> </div> </BODY> </HTML>

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