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![screenshot 10](https://cloud.githubusercontent.com/assets/4451957/18017890/ce53a2b4-6ba1-11e6-8409-42a61e6fdf94.png)
pdb id: 3BBM and I am using current ngl-dev code.
hainm updated
7 years ago
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I recently had a discussion with Adam Hospital about making the OPTIMADE standard suitable for biomolecular data.
The most important data to share, that is not standard in Optimade, would be:
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Hi @bcov77,
I'd like to kindly ask your insight in complex docking task I'd like to achieve.
I have predicted an RNA structure (e.g. nstruct=50) from sequence (~80b) w/ and w/o specifying the R…
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I am trying to use ParmEd v3.4.3 to convert a system solvated in tip4pew water from openMM v. 7.7.0 to GROMACS topology and configuration files (gro). Python lines doing the conversion are reported be…
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### Expected behaviour
When I want to get hydrogen bonding frequencies (```h.count_by_type()```) in combination with the ```update_selections``` flag, it should built the proper frequencies table.
…
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Hello,
Blender crashes when I try loading a very simple .hda
.hda is attached as a .zip
Here is the log :
```
Read prefs: C:\Users\valen\AppData\Roaming\Blender Foundation\Blender\2.93\config\…
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organism "9606" should be the name "human"
existence, i'd probably not show this
PDB links should be to web, not rdf...
click on pharmacology data says "there is no pharmacology data" - then after a …
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Hello!
The current version of TMalign (20210520) cannot parse my pdb: "Warning! Cannot parse file: ecoli/tmp/AF-P31468-Q_48_154.pdb. Chain number 0."
However, the pdb works fine in the web server:…
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This thread breaks out the discussion from #31 into a separate thread about how we should handle residue replacement.
I would like to propose we work toward having pdbfixer use three possible modes f…
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It would be really useful for a wide variety systems of it was possible on an input level to parse nucleotides, would that be possible at all ? It seems like a small modification (relatively speaking)…