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Given two (CX)SMILES:
```
[*]C(=O)[C@@H](N)CCCCN[*] |Sg:n:1,2,3,4,5,6,7,8,9::ht|
C(=O)[C@@H](N)CCCCN
```
and `CIP Stereo Labeling` turned on, only the SMILES and not the CXSMILES shows the CI…
egonw updated
2 years ago
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Add command to pspc and pspg output full solutions of modified diffusion equation (MDE) to files.
Proposal:
Create command WRITE_Q_RGRID with variants
WRITE_Q_RGRID SINGLE K L M ->…
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**Summary**
I am trying to simulate a simple system of polymers interacting via the Gaussian (`pair_style gauss`) and harmonic bond (`bond_style harmonic`) potentials. When I run LAMMPS using CPU o…
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My suggestion to this mod is a part where I've been involved IRL, polymerization of substances.
Examples:
R* (radical) + styrene -> polystyrene
![image](https://user-images.githubusercontent.com/53…
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SlicerEstimator adds a large `slicer_metadata` field to each file and it makes `/api/files/local` response 3x bigger causing performance issues. And I don't think OctoPrint has a way to get a file lis…
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Hello,
1) fuzzy skin as it is does not have any effect on object durability and I think there is a way to do so without much hassle.
Principle is that perimeters are stronger if they are not placed …
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Hello,
I failed to use this curl -sSL https://raw.githubusercontent.com/python-poetry/poetry/master get-poetry.py | python,
then I tried to install poetry by myself, but I can not run the rest code …
yy462 updated
2 years ago
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For example, a typical pair potential for bead spring polymers is:
```
A-A: epsilon=1.0, sigma=1.0, r_cut=2.5
A-B: epsilon=1.0, sigma=1.0, r_cut=2**(1/6)
B-B: epsilon=1.0, sigma=1.0, r_cut=2.5
``…
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How to set the parameters when the polymers bind to the substrate in a certain direction as shown in the figure below? Is there any parameter available?
![](https://camo.githubusercontent.com/e9ec4…
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These results suggested that Rgf3p was specifically activating Rho1p, the GTPase that directly regulates the biosynthesis of β-1,3-glucan and, through Pck2p, the biosynthesis of the two main polymers …