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Hi, I came across this tutorial and noticed it's not implemented for Martini DOPC yet. https://github.com/marrink-lab/polyply_1.0/wiki/Tutorial:-PEGylated-lipid-bilayers
Could you implement this fo…
vk208 updated
2 years ago
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## Is your feature request related to a problem? ##
The `analysis.pca` module calculates the principal components (PC) but does not have a built-in way to generate a trajectory that is projected on a…
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hmas:hasHomeWorkspace vs hmas:hasHomePlatform ? Why do we need these properties ?
What is the definition of "isHomeOf" ?
What is the purpose of this property?
:isHomeOf a owl:AsymmetricProper…
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Joe, I think it will be good if you publish only with linear polymers, instead of including ladders. What do you think?
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Hello,
I am getting an error when trying to calculate energy on a molecule via the openff and openmm packages.
```python
from rdkit import Chem
from rdkit.Chem import AllChem
from rdkit.Chem…
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should
| GO:0090334 | regulation of cell wall (1->3)-beta-D-glucan biosynthetic process
be a descendant of
| GO:1903338 | regulation of cell wall organization or biogenesis
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### What are you changing?
Synonyms within the subject ontology. A general check should be performed.
### Why are you suggesting this change?
We have many synonyms, of which some are very similar…
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Goal: Add sweep functionality to pspc, analogous to that of fortran PSCF code.
As side product, also create BasisFieldState class, which may be useful as building block for writing more concise re…
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Hi,
We implemented the pdbe-molstar web component on our web database, which is quite a nice tool. However, we noticed that when the ligand is a free amino acid residue, e.g. **ARG 426 (chain A)** …
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Carsten could provide datasets which have DOIs in it and these should be available also in the LDM instance.