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Hello!
When I tried to load RCSB structure 1fs4 the following error raise:
```
UserWarning: File contains invalid 'CRYST1' record, box is ignored
warnings.warn(
Traceback (most recent call …
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Hi GO
sorry to trouble you but I'd like to get some advice about a few GO terms relating to fatty acid biosynthesis.
GO includes terms for fatty acid elongation as shown below (fatty acids are synt…
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- [x] I believe this to be a bug with Open Babel
## Environment Information
Open Babel version: 3.1.1
Operating system and version: macOS big sure and Red Hat Enterprise Linux Server release 7.…
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an assay which uses chemical or enzymatic agent to determine the secondary structure of nucleic acid sequence by obtaining information about backbone accessiblity and/or base-pairing at individual nuc…
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Dear All,
I would like to know if PyAble can be used to retrieve electron density or phase map from an experimentally measured inteterferogram ?
Thank you.
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Hello!
I am trying PDBFixer to clean up a PDB file (6D9H) and when I remove the complexed proteins from the receptor, the resulting receptor file is left with long bits (that I am calling legs) sti…
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Hi,
I was going through the following work:
Schlesiger, C., Anklamm, L., Malzer, W., Gnewkow, R., & Kanngießer, B. (2017). A new model for the description of X-ray diffraction from mosaic crystals…
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If you have time, consider adding two "compute".
The first is the X-ray diffraction pattern of the structure, similar to the "compute xrd"[1-3] in LAMMPS;
The second is the electron diffraction pa…
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It would be great to be able to output the atomic structure information as .cif files. This is the crystallography standard and allows to use of the structures in many other applications. A direct dow…