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https://sirahff.github.io/documentation/Tutorials%20gromacs.html
2.1. PDB to GROMACS format[](https://sirahff.github.io/documentation/Tutorials%20gromacs.html#id9)
Use pdb2gmx to convert the PDB fi…
xih72 updated
1 month ago
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### Prerequisites
* [x] Put an X between the brackets on this line if you have done all of the following:
* Reproduced the problem in Safe Mode: https://flight-manual.atom.io/hacking-atom/sect…
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This module and its types, all modelled after Gradualizer code and `erl_parse`, show why packing AST node attributes into a list leads to unnecessarily convoluted code:
```erlang
1 -module(ab…
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I'm trying to register a unit called 'mma'.
```
Unitwise.register(
names: "mma",
symbol: "mma",
primary_code: "mma",
secondary_code: "MMA",
scale: {
value: 12.0,
unit_cod…
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## Expected behavior ##
This data file attached below is a topology file (in MDAnalysis lingo) for a single ring polymer in cylindrical simulation box. The polymer in the input data file (test_alr…
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Over Ubuntu 16.04 I try to build the project, in order to do that followed these steps:
1. I installed `sbt` according to the https://www.scala-sbt.org/download.html
2. I cloned the repository
3.…
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# My error
## Generate the ESM2 embeddings for the proteins:
```python
python datasets/esm_embedding_preparation.py
```
I downloaded the BindingMOAD dataset and extracted it into the "/data/Bin…
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[Enter steps to reproduce:]
1. Installed linter-sls2 and autoinstalled the dependencies.
2. ...
**Atom**: 1.32.2 x64
**Electron**: 2.0.9
**OS**: WORKSTATION
**Thrown From**: [language-lsl2](…
X00LA updated
4 years ago
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I am trying to find out how can I add shortcut for reformatting or re-indenting. I couldn't find anything in the official document. Please update me on how I can add a shortcut for these options. Than…
ghost updated
7 years ago
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CIF_POW redefines the category keys of `REFLN` to add `_pd_refln.phase_id`. This allows the unique distribution of reflections in a multiphase diffraction pattern between h,k,l and the constituent pha…