<html><head><meta http-equiv="Content-Type" content="text/html; charset=us-ascii"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div class="">Dear Aman,</div><div class=""><br class=""></div><div class="">Thank you for your interest - hope you are doing well too.</div><div class=""><br class=""></div><div class=""><div class="">The mailing list for Open Babel is openbabel-devel @ <a href="http://lists.sf.net" class="">lists.sf.net</a>.</div><div class=""><br class=""></div><div class="">My suggestion in terms of the CoordGen library is to first start with the Open Babel library (e.g., compile it from source, etc.):</div><div class=""><a href="https://open-babel.readthedocs.io/en/latest/Installation/install.html#compiling-open-babel" class="">https://open-babel.readthedocs.io/en/latest/Installation/install.html#compiling-open-babel</a></div><div class=""><br class=""></div><div class="">Assuming you've got that set up, you should take a look at the CoordGen code:</div><div class=""><a href="https://github.com/schrodinger/coordgenlibs" class="">https://github.com/schrodinger/coordgenlibs</a></div><div class=""><br class=""></div><div class="">Particularly, take a look at the CoordGen example:</div><div class=""><a href="https://github.com/schrodinger/coordgenlibs/blob/master/example_dir/example.cpp" class="">https://github.com/schrodinger/coordgenlibs/blob/master/example_dir/example.cpp</a></div><div class=""><br class=""></div><div class="">The project will require code to "bridge" between the Open Babel OBMol class and the CoordGen classes - essentially, you'll need to create atoms / bonds with sketcherMinimizerMolecule() based on the Open Babel atoms / bonds. An important part of that is also the stereochemistry. Then you generate the 2D coordinates and copy them back to the atoms in the OBMol.</div><div class=""><br class=""></div><div class="">You may wish to look at various issues to submit a pull request, e.g. (I'll go through and mark more as good-first-issue)</div><div class=""><a href="https://github.com/openbabel/openbabel/issues" class="">https://github.com/openbabel/openbabel/issues</a> </div><div class=""><br class=""></div><div class=""><div class="">Hope that helps,</div><div class="">-Geoff</div></div></div><br class=""><div class="">
<div style="color: rgb(0, 0, 0); letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">---<br class="">Prof. Geoffrey Hutchison<br class="">Department of Chemistry<br class="">University of Pittsburgh<br class="">tel: (412) 648-0492<br class=""><a href="mailto:geoffh@pitt.edu" class="">email: geoffh@pitt.edu</a></div><div style="color: rgb(0, 0, 0); letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">twitter: @ghutchis<br class="">web: <a href="https://hutchison.chem.pitt.edu/" class="">https://hutchison.chem.pitt.edu/</a></div>
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<div><br class=""><blockquote type="cite" class=""><div class="">On Mar 13, 2021, at 12:58 PM, Aman Kumar <<a href="mailto:kumaramanjha2901@gmail.com" class="">kumaramanjha2901@gmail.com</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class=""><p class=""><span style="font-weight:400;font-style:normal;text-decoration:none" class="">Hello,<br class=""></span></p><p dir="ltr" class=""><span style="font-weight:400;font-style:normal;text-decoration:none" class="">I hope everyone is safe and in good health in the wake of prevailing COVID-19.</span></p><p dir="ltr" class=""><span style="font-weight:400;font-style:normal;text-decoration:none" class="">My
name is Aman Kumar and I am a 3rd-year Computer Science undergraduate
student at Shri Mata Vaishno Devi University. I have been working with
Python, CPP, Web Development and deep learning for a couple of years now
and have in-depth knowledge of it. I look forward to contributing to
"Open Chemistry" as part of this year's GSoC and work on
the project "Integrate CoordGen Library"</span><span style="font-weight:400;font-style:normal;text-decoration:none" class="">. The prior guidance
from the mentors and the community members will be very much helpful</span><span style="font-weight:400;font-style:normal;text-decoration:none" class="">.</span></p><p dir="ltr" class=""><span style="font-weight:400;font-style:normal;text-decoration:none" class="">My Linkedin Profile:- </span><a href="https://www.linkedin.com/in/aman-kumar-6b31b9127/" style="text-decoration:none" target="_blank" class=""><span style="font-weight:400;font-style:normal;text-decoration:underline" class="">https://www.linkedin.com/in/aman-kumar-6b31b9127/</span></a></p><p class="">My github profile - <a href="https://github.com/Arraxx" class="">https://github.com/Arraxx</a></p><p dir="ltr" class="">Thank You,</p><p dir="ltr" class="">Aman Kumar<font color="#888888" class=""><br class="">
</font></p>
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