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Hi, I installed ATSAS 4.0.0.2 on my PC (Win11), everything worked fine apparently but when I tried to use Crysol, I had the following error:
> crysol --prefix 6lyz --smax 0.5 --ns 501 --lm 20 --dns…
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Hi,
I would like to request to remove .pdb files generation from nuget and serve them with separate Symbol package for debug purposes.
Having this .pdb files in Release mode of builds in the project…
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This is a somewhat niche file-format for streamlines from dMRI tractography. I have an implementation of reading, writing and converting from/to trk files implemented here: https://github.com/vistalab…
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This is amazing. It would be great if the PDB information (when available) could also be utilized.
h5kk updated
5 months ago
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I seem to be unable to load debug information for projects where I use DLLExport v1.5.1.
I have seen the issue in both Visual Studio 2013 and 2015.
![image](https://cloud.githubusercontent.com/ass…
OzzyL updated
4 years ago
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~~Needs Jenke's input.~~
@phraenquex suggests: hierarchy of inputs.
If .seq file with .pdb, then use that for the .pdb
If .seq file with xtalform, then use that for all .pdb of that xtalform
If…
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When trying to read this file (and other similar ones), I get:
```julia
julia> read("vmd.pdb", BioStructures.PDB)
ERROR: Two copies of the same atom have the same alternative location ID. Existin…
lmiq updated
3 months ago
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I'm building wxWidgets on Windows using cmake and VS2022 generator. It works pretty good except one thing: linking my project shows several warning that pdb files are not found and it will limit debug…
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It could be a good add if Avogadro could import trajectories from PDB files. The old Avogadro had this feature, but it does not seem present/working in Avogadro 2.
Similar to loading a 'normal' PD…
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I think that solution proposed in this PR is not consistent with `mdtraj` writing functionality of pdb files. This can lead to a situation, when a structure read and then saved by `mdtra…