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In manuscript EC12092, Clementi et al. describe a boundary element method at the electrostatic limit to simplify the numerical calculation/analysis for bio-sensing using nanoplasmonics. Due to the con…
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Hello, we are running the software on a server and we are having some problems, as reported below:
Translate nucleic acid sequences
Error: mdb_env_open: No such file or directory
Translate nuclei…
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## Expected behavior ##
If I reorder some atoms I expect to get the right name along the right coordinates.
Original coordinates:
O 0.00000 0.00000 0.00000
N 2.00000 …
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XCA should be doing the downloading of files from the PDB. Including extracting event maps, if they were uploaded.
This won't be hard, just needs working out a few arcane details of where to fin…
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The manuscript presents a software package for boundary element method
(BEM) calculations that has been modified to calculate optical
extinction spectra for models of biological molecules in close
…
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Hi, I run simulation on the following system for a given dimer structure. Whenever I run with different parameter and put into VMD, I see each protein subunit seperate each other and be outside simula…
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Hi, I would like to color the atoms from MolecularNodes based on numbers calculated externally, for example the coordination number of each atom. I can see that the "Color Map Range" node could be use…
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In this issue you can either:
- Add papers that you think are interesting to read and discuss (please stick to the format).
- **Vote**: should be done using 👍 on comments
Example: [Voting Paper…
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Following [this Slack thread](https://exercism-team.slack.com/archives/CAS0EK88H/p1644497987712339) and [this PR discussion](https://github.com/exercism/go/pull/1254/files)
In the track, there are …
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Here we will accept molecule design suggestions from the public (provided a score below -5.2 kcal/mol) to see if any improved Vina binding scores can be found at the C-terminus-B pocket.
A three-p…