[buster-discuss] Grade2 FAQs page now available

[Oliver Smart]

Dear BUSTER users,

Following the recent BUSTER release (20210716) we have received many useful
questions about restraint generation with the new Grade2 tool. As similar
questions often arise we have produced an FAQs page for Grade2:

https://gphl.gitlab.io/grade2_docs/faqs.html

Currently, this has answers to the questions:

1. How can I check Grade2 is correctly installed and works?
2. I have a problem with Grade2: what should I do?
3. How to cite Grade2?
4. How can I use Grade2 to generate a restraint dictionary with atom names
consistent with an existing Grade dictionary?
5. How can I run Grade2 if I only have a PDB file for the ligand?
6. How can I produce restraints for a ligand with a different protonation
state or tautomer?
7. What are the Grade2/BUSTER restrictions on residue name?

There is also a page for known issues:

https://gphl.gitlab.io/grade2_docs/issues.html

The most important known issue with the first release is that
"The --big_planes option produces messed-up restraints".

Thanks to everyone for asking questions please keep them coming.

As always, we kindly ask that support requests and feedback be sent to our
developer mailing lists:

  buster-develop at globalphasing.com    for BUSTER, Pipedream, Rhofit, Grade and Grade2

rather than to individual developers.

Oliver and the BUSTER developers

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