<html><head><meta http-equiv="Content-Type" content="text/html; charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div class=""><br class=""></div><div class="">Hi Dorothee-</div><div class=""><br class=""></div><div class="">Sounds good. We’re in the midst of getting ready for the ACS conference right now along with pushing through some evals. Let me put this on the list though. We’ll likely get to it next month.</div><div class=""><br class=""></div><div class="">In the meantime, I’ll see if the questionnaire can be filled out in the next week.</div><div class=""><br class=""></div><div class="">-Lance</div><div class="">____________________</div><div class="">Lance M. Westerhoff, Ph.D.<br class="">President and General Manager<br class="">QuantumBio Inc. <br class=""><br class="">WWW: <a href="http://www.quantumbioinc.com" class="">http://www.quantumbioinc.com</a><br class=""><a href="mailto:lance@quantumbioinc.com" class="">Email: lance@quantumbioinc.com</a><br class=""><br class="">Phone: 814-235-6908<br class="">Fax: 814-235-6909<br class=""><br class=""><br class="">This message and any attachments are solely for the intended recipient and<br class="">should be considered confidential. If you are not the intended recipient,<br class="">please immediately and permanently delete.
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<div><br class=""><blockquote type="cite" class=""><div class="">On Aug 19, 2019, at 1:35 AM, Dorothee Liebschner <<a href="mailto:dcliebschner@lbl.gov" class="">dcliebschner@lbl.gov</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class="">Hi Lance,<div class=""><br class=""></div><div class="">Thank you for passing along the questionnaire. The more feedback we get, the better.</div><div class="">If you could make examples of using the CCTBX available, that would be great! One common issue found in questionnaire is indeed the lack of examples.</div><div class=""><br class=""></div><div class="">Thanks,</div><div class=""><br class=""></div><div class="">Dorothee</div><div class=""><br class=""></div><div class=""><br class=""></div></div><br class=""><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Fri, Aug 16, 2019 at 12:06 PM Lance Westerhoff <<a href="mailto:lance@quantumbioinc.com" target="_blank" class="">lance@quantumbioinc.com</a>> wrote:<br class=""></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div class=""><div class=""><br class=""></div><div class="">Hi Dorothee-</div><div class=""><br class=""></div><div class="">More documentation sounds great. We’ve used CCTBX extensively so I’ll see what our group has to say concerning your request and I’ll pass along your questionnaire.</div><div class=""><br class=""></div><div class="">As part of your efforts, would you like examples of the use of CCTBX in production? We’ve developed a number CCTBX-based tools (even a stripped down, light weight QM/MM refinement engine we use for testing) and we’d be happy to opensource some of this code in our github account if you’d like. It doesn’t hurt us and if it helps folks see how CCTBX can be used, all the better. If you’re interested, let me see about opening it up. Thanks and have a great weekend!</div><div class=""><br class=""></div><div class="">-Lance</div><div class="">____________________</div><div class="">Lance M. Westerhoff, Ph.D.<br class="">President and General Manager<br class="">QuantumBio Inc. <br class=""><br class="">WWW: <a href="http://www.quantumbioinc.com/" target="_blank" class="">http://www.quantumbioinc.com</a><br class=""><a href="mailto:lance@quantumbioinc.com" target="_blank" class="">Email: lance@quantumbioinc.com</a><br class=""><br class="">Phone: 814-235-6908<br class="">Fax: 814-235-6909<br class=""><br class=""><br class="">This message and any attachments are solely for the intended recipient and<br class="">should be considered confidential. If you are not the intended recipient,<br class="">please immediately and permanently delete.
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<div class=""><br class=""><blockquote type="cite" class=""><div class="">On Aug 15, 2019, at 3:04 PM, Dorothee Liebschner <<a href="mailto:dcliebschner@lbl.gov" target="_blank" class="">dcliebschner@lbl.gov</a>> wrote:</div><br class="gmail-m_-8722403139811929098gmail-m_3013754733983836692Apple-interchange-newline"><div class=""><div dir="ltr" class="">Hi everyone,<div class=""><br class=""></div><div class="">During this year's ECM computing school, it came up that the CCTBX does not have a lot of documentation. This seems to be a major reason why people don't use it, even if they would like to employ the libraries.</div><div class="">We would like to find out which parts of the CCTBX are the most interesting for users. We certainly cannot provide extensive documentation for the entire toolbox, but we can see what we can do once we know the main areas of interest. </div><div class="">So if you were in the situation of wanting to use the CCTBX but decided to stay away from it because the documentation was non-existent or obscure, please let us know by filling out the questionnaire below (it's anonymous):</div><div class=""><br class=""></div><div class=""><a href="https://forms.gle/9RawJFfHyEvhCVVP7" target="_blank" class="">questionnaire CCTBX documentation</a><br class=""></div><div class=""><br class=""></div><div class="">Best wishes,</div><div class=""><br class=""></div><div class="">Dorothee</div><div class=""><br class=""></div><div class="">-- <br class=""><div dir="ltr" class="gmail-m_-8722403139811929098gmail-m_3013754733983836692gmail_signature"><div dir="ltr" class=""><div class="">Project Scientist, Molecular Biophysics and Integrated Bioimaging<br class=""></div><div class="">Lawrence Berkeley National Laboratory</div><div class="">1 Cyclotron Road, M/S 33R0345</div><div class="">Berkeley, CA 94720</div><div class="">Tel: (510) 486-5709</div><div class="">Fax: (510) 486-5909</div><div class="">Web: <a href="https://phenix-online.org/" style="color:rgb(17,85,204)" target="_blank" class="">https://phenix-online.org</a></div></div></div></div></div>
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</blockquote></div><br clear="all" class=""><div class=""><br class=""></div>-- <br class=""><div dir="ltr" class="gmail-m_-8722403139811929098gmail_signature"><div dir="ltr" class=""><div class="">Project Scientist, Molecular Biophysics and Integrated Bioimaging<br class=""></div><div class="">Lawrence Berkeley National Laboratory</div><div class="">1 Cyclotron Road, M/S 33R0345</div><div class="">Berkeley, CA 94720</div><div class="">Tel: (510) 486-5709</div><div class="">Fax: (510) 486-5909</div><div class="">Web: <a href="https://phenix-online.org/" style="color:rgb(17,85,204)" target="_blank" class="">https://phenix-online.org</a></div></div></div>
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