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Hi pere,
First of all i want thank you for this open-access code and your detailed illustration of the code in your thesis, this is very helpful for me, and i believe also helpful for other newcome…
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3-10 helices are 10% of all helices (more in membrane proteins - e.g. the S4 helix of the voltage sensing domain of every Kv/Nav/Cav channel is 3-10), and at medium resolution can be difficult to mode…
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I cannot get refinement to work when the residue ID is larger than 9999 for one of the linked atoms. For example, with PDB 7K00, the link between MG and HOH in chain 'a' causes this error.
Command:…
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It is quite common in our IMP modeling to apply "conditional" restraints, only some of which need to be satisfied. There is currently only partial support for such restraints in the dictionary, for ex…
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loads of tests still failing on python 3. This one is run by azure:
https://dev.azure.com/cctbx/cctbx_project/_build/results?buildId=184
`libtbx.python smtbx/refinement/restraints/tests/tst_restra…
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Your example files contain a crosslink folder. How to run CombFold with enabling the crosslink restraints?
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I tried running GeoDock with a VH-VL antibody complex + its protein antigen. GeoDock succesfully generated a docked structure, but it looks like the antigen is bound on the opposite side of the VH-VL …
wjs20 updated
9 months ago
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Hi,
This looks like a very good software. However, I have no clue how to run it, much less MELD-DNA. The documentation that exists seems very intricate and not easily reproducible, and I find no wa…
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Prime fails while enforcing planarization of aromatic rings, the "--planarize" works only with MacroModel
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### Description
When Cuffing someone with Elastic Restraints and Metal Handcuffs at the same time, dragging said individual around will deal damage depending on their velocity.
### How to Replicate
-…