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```
We are unsure how well the upload / update methods from wbc-server are actually
working right now, since it has been a while since we tried them out. We need
to give them a shot. The summer in…
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For Python code to be compatible with both Python 2 and 3, the ```six``` and ```future``` modules are being used. However, for the ```libtbx``` module specifically, these dependencies are not really n…
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When a loom file is updated, this is not currently reflected in the cache.
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Hi Jonas,
I am having issues using a long range double helix PSF with the fitting with an experimental model GUI. The PSF spans about 75 px in both x and y, but we are not able to change the ROI s…
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Hello!
I am a bit new to MD, so I might be asking for something extraordinarily simple or impossible. So far I have been doing all-atom simulations with openMM in a membrane protein. They look all …
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Dear Developers,
I am using a package foyer for assigning force field parameters, which is based on the openmm.load_topology(). However, the improper dihedrals cannot be parameterised by this funct…
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Using version 3.2 of parmed and running this script:
```python
from rdkit import Chem
import parmed as pmd
print("parmed:")
struct = pmd.load_file('ccl4.mol2',structure=True)
for a in stru…
bkpgh updated
3 years ago
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Left over from Frank HDF5 export project
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(Links below will open the PDF with the Google Docs viewer. Default GitHub behavior would be to download the file instead.)
**Article file diff**, using `latexdiff`
[revised_manuscript_marked_up.…
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And instead provide a factory which will take a dxtbx format object which is fully populated and provide a detectorbase (if such a thing fits)
- Would aid with things like non-square Bruker detecto…