[phenixbb] [cctbxbb] CCTBX documentation questionnaire

Lance Westerhoff lance at quantumbioinc.com
Fri Aug 16 12:05:42 PDT 2019

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

WWW:    http://www.quantumbioinc.com
Email:    lance at quantumbioinc.com

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

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> On Aug 15, 2019, at 3:04 PM, Dorothee Liebschner <dcliebschner at lbl.gov> 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
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