Hi Dorothee- 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. In the meantime, I’ll see if the questionnaire can be filled out in the next week. -Lance ____________________ Lance M. Westerhoff, Ph.D. President and General Manager QuantumBio Inc. WWW: http://www.quantumbioinc.com Email: [email protected] Phone: 814-235-6908 Fax: 814-235-6909 This message and any attachments are solely for the intended recipient and should be considered confidential. If you are not the intended recipient, please immediately and permanently delete.

On Aug 19, 2019, at 1:35 AM, Dorothee Liebschner wrote:

Hi Lance,

Thank you for passing along the questionnaire. The more feedback we get, the better. 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.

Thanks,

Dorothee

On Fri, Aug 16, 2019 at 12:06 PM Lance Westerhoff mailto:[email protected]> wrote:

Hi Dorothee-

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.

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!

-Lance ____________________ Lance M. Westerhoff, Ph.D. President and General Manager QuantumBio Inc.

WWW: http://www.quantumbioinc.com http://www.quantumbioinc.com/ Email:    [email protected] mailto:[email protected]

Phone: 814-235-6908 Fax: 814-235-6909

This message and any attachments are solely for the intended recipient and should be considered confidential. If you are not the intended recipient, please immediately and permanently delete.

...

On Aug 15, 2019, at 3:04 PM, Dorothee Liebschner mailto:[email protected]> wrote:

Hi everyone,

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. 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. 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):

questionnaire CCTBX documentation https://forms.gle/9RawJFfHyEvhCVVP7

Best wishes,

Dorothee

-- Project Scientist, Molecular Biophysics and Integrated Bioimaging Lawrence Berkeley National Laboratory 1 Cyclotron Road, M/S 33R0345 Berkeley, CA 94720 Tel: (510) 486-5709 Fax: (510) 486-5909 Web: https://phenix-online.org https://phenix-online.org/_______________________________________________ cctbxbb mailing list [email protected] mailto:[email protected] http://phenix-online.org/mailman/listinfo/cctbxbb http://phenix-online.org/mailman/listinfo/cctbxbb

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-- Project Scientist, Molecular Biophysics and Integrated Bioimaging Lawrence Berkeley National Laboratory 1 Cyclotron Road, M/S 33R0345 Berkeley, CA 94720 Tel: (510) 486-5709 Fax: (510) 486-5909 Web: https://phenix-online.org https://phenix-online.org/_______________________________________________ cctbxbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/cctbxbb