
<html><head><meta http-equiv="Content-Type" content="text/html charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><div class="">The first step is to build Avogadro 2:</div><div class=""><a href="http://wiki.openchemistry.org/Build" class="">http://wiki.openchemistry.org/Build</a></div><div class=""><br class=""></div><div class="">The key parts of the code for your purpose will be in avogadrolibs:</div><div class=""><a href="https://github.com/OpenChemistry/avogadrolibs/" class="">https://github.com/OpenChemistry/avogadrolibs/</a></div><div class=""><br class=""></div><div class="">specifically, avogadrolibs/avogadro/qtplugins. This directory contains subdirectories for all kinds of plugins.</div><div class=""><br class=""></div><div class="">The first step will be to add an "atom" property table. Before we get into the GUI, I suggest you make a copy of the "molecularproperties" subdirectory, since you'll be building a "propertiestable" variant.</div><div class=""><br class=""></div><div class="">Let me know when you've gotten things building and I'll give you more pointers from there.</div><div class=""><br class=""></div><div class="">Thanks and best regards,</div><div class="">-Geoff</div><div class=""><br class=""></div><div class=""><br class=""></div><div><blockquote type="cite" class=""><div class="">On Apr 2, 2016, at 4:02 AM, Ishan Gupta <<a href="mailto:ishangupta.work@gmail.com" class="">ishangupta.work@gmail.com</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class="">Hey Geoffrey,<div class=""><br class=""></div><div class="">I would like to start work on the second task that you wrote to me about. Can you please give me some pointers on how to start?</div><div class="">Hoping to hear from you soon,</div><div class=""><br class=""></div><div class="">With regards,</div><div class="">Ishan</div></div><div hspace="streak-pt-mark" style="max-height:1px" class=""><img style="width:0px;max-height:0px;overflow:hidden" src="https://mailfoogae.appspot.com/t?sender=aaXNoYW5ndXB0YS53b3JrQGdtYWlsLmNvbQ%3D%3D&type=zerocontent&guid=d73a8fca-bb4f-4bbe-9406-1b4ee6a79c2d" class=""><font color="#ffffff" size="1" class="">ᐧ</font></div><div class="gmail_extra"><br class=""><div class="gmail_quote">On Wed, Mar 30, 2016 at 7:07 PM, Ishan Gupta <span dir="ltr" class=""><<a href="mailto:ishangupta.work@gmail.com" target="_blank" class="">ishangupta.work@gmail.com</a>></span> wrote:<br class=""><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr" class="">Hi Geoffrey,<div class=""><br class=""></div><div class="">I would like to start with the second task, the property tables. I haven't used Avogadro v1 but I'll start with Avogadrov2 for better understanding. Can you please guide me on how to start on the task and how should I work on Avogadro's code?</div><div class=""><br class=""></div><div class="">With regards,</div><div class="">Ishan</div></div><div hspace="streak-pt-mark" style="max-height:1px" class=""><img style="width:0px;max-height:0px;overflow:hidden" src="https://mailfoogae.appspot.com/t?sender=aaXNoYW5ndXB0YS53b3JrQGdtYWlsLmNvbQ%3D%3D&type=zerocontent&guid=621a866d-ff02-4837-bf6b-f29c53b43223" class=""><font color="#ffffff" size="1" class="">ᐧ</font></div><div class="gmail_extra"><div class=""><div class="h5"><br class=""><div class="gmail_quote">On Tue, Mar 29, 2016 at 7:28 AM, Geoffrey Hutchison <span dir="ltr" class=""><<a href="mailto:geoff.hutchison@gmail.com" target="_blank" class="">geoff.hutchison@gmail.com</a>></span> wrote:<br class=""><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div style="word-wrap:break-word" class=""><div class="">Welcome! </div><div class=""><br class=""></div><div class="">I put the Avo2 roadmap onto the wiki:</div><div class=""><a href="http://wiki.openchemistry.org/Avogadro_Roadmap" target="_blank" class="">http://wiki.openchemistry.org/Avogadro_Roadmap</a></div><div class="">(This version has better formatting: <a href="https://github.com/Avogadro/avogadro/wiki/Avogadro-v2-Roadmap" target="_blank" class="">https://github.com/Avogadro/avogadro/wiki/Avogadro-v2-Roadmap</a>)</div><div class=""><br class=""></div><div class="">Have you used Avogadro v1 previously? If so, perhaps there's a feature you'd like to see ported. I'll give a few ideas and if you pick one, I can give some pointers on how to get started.</div><div class=""><br class=""></div><div class="">Otherwise, I think two key tasks would be:</div><div class="">1) The various "builders" (e.g., insert fragment molecule, insert peptide, insert DNA)</div><div class=""><font color="#4787ff" class=""><u class=""><a href="http://manual.avogadro.cc/content/2-building-molecules/6-insert-fragments.html" target="_blank" class="">http://manual.avogadro.cc/content/2-building-molecules/6-insert-fragments.html</a></u></font></div><div class=""><font color="#4787ff" class=""><u class=""><br class=""></u></font></div><div class="">2) The property tables (These will require implementing iterators to go through all atoms, all bonds, all angles (i.e., A-B-C, where AB and BC are bonds), and all 4-atom torsions (A-B-C-D).</div><div class=""><a href="http://manual.avogadro.cc/content/6-menus/3-view-menu.html" target="_blank" class="">http://manual.avogadro.cc/content/6-menus/3-view-menu.html</a></div><div class=""><br class=""></div><div class="">Another very useful task would be to port some of the rendering engines from Avo1, like the "Label" engine. There are a few that are still missing, but "label" is highest on the list:</div><div class=""><a href="http://manual.avogadro.cc/content/5-display-types/1-display-types.html" target="_blank" class="">http://manual.avogadro.cc/content/5-display-types/1-display-types.html</a></div><span class=""><div class=""><br class=""></div><div class=""><blockquote type="cite" class=""><div class=""><div dir="ltr" class="">I am proficient in C, C++, and Python and I would like to contribute to the development of Avogadro application. Please let me know if there are open bugs, or features to be ported and I will start working on them.<br class=""></div></div></blockquote></div><br class=""></span></div></blockquote></div><br class=""><br clear="all" class=""><div class=""><br class=""></div></div></div><span class="">-- <br class=""><div class=""><div dir="ltr" class=""><div class=""><div dir="ltr" class=""><div class=""><div dir="ltr" class=""><div dir="ltr" class=""><div style="color:rgb(136,136,136);font-size:12.8000001907349px" class=""><div class=""><div dir="ltr" class=""><div dir="ltr" class=""><div class=""><i class=""><b class=""><font color="#999999" class="">"What we do today, echoes in eternity."</font></b></i></div><div class=""><div dir="ltr" class=""><div dir="ltr" class=""><div dir="ltr" class=""><div dir="ltr" class=""><span style="" class="">Ishan Gupta</span><div class=""><div style="color:rgb(34,34,34);font-size:small" class="">Final Year student<br class=""></div><div style="color:rgb(34,34,34);font-size:small" class="">Communications and Computer Engineering</div><div style="color:rgb(34,34,34);font-size:small" class="">The LNM Institute of Information Technology</div><div style="color:rgb(34,34,34);font-size:small" class="">Jaipur, Rajasthan</div><div style="color:rgb(34,34,34);font-size:small" class="">+91-8764029540</div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div>

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</blockquote></div><br class=""><br clear="all" class=""><div class=""><br class=""></div>-- <br class=""><div class="gmail_signature"><div dir="ltr" class=""><div class=""><div dir="ltr" class=""><div class=""><div dir="ltr" class=""><div dir="ltr" class=""><div style="color:rgb(136,136,136);font-size:12.8000001907349px" class=""><div class=""><div dir="ltr" class=""><div dir="ltr" class=""><div class=""><i class=""><b class=""><font color="#999999" class="">"What we do today, echoes in eternity."</font></b></i></div><div class=""><div dir="ltr" class=""><div dir="ltr" class=""><div dir="ltr" class=""><div dir="ltr" class=""><span style="" class="">Ishan Gupta</span><div class=""><div style="color:rgb(34,34,34);font-size:small" class="">Final Year student<br class=""></div><div style="color:rgb(34,34,34);font-size:small" class="">Communications and Computer Engineering</div><div style="color:rgb(34,34,34);font-size:small" class="">The LNM Institute of Information Technology</div><div style="color:rgb(34,34,34);font-size:small" class="">Jaipur, Rajasthan</div><div style="color:rgb(34,34,34);font-size:small" class="">+91-8764029540</div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div>

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