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**Description**
mBuild has some nice lattice building tooling that would be nice to use with interchange.
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**Bug summary**
Trying to fix an issue in GMSO with loading benzene molecules from different sources. The `print_hierarchy` method and `children` attribute seem to raise an error whenever they're a…
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Hello!
The code :
```
mol = mbuild.load('.pdb')
ff = foyer.Forcefield(name = 'oplsaa')
mol_ff = ff.apply(mol)
```
gives :
```
Exception: Parameters have not been assigned to all bonds. Tota…
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While working on https://github.com/mosdef-hub/mbuild/pull/1191 in mBuild, I noticed that it should be relatively straight forward to move the [Charmm par writer ](https://github.com/mosdef-hub/mbuild…
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### Checks
- [x] I have checked that this issue has not already been reported.
- [x] I have confirmed this bug exists on the [latest version](https://github.com/prefix-dev/pixi/releases) of pixi, us…
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Hey there,
Is there any interest/ongoing work for having XED build with CMake? mbuild.py makes it a bit harder to integrate with other toolchains.
Cheers,
Christian
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MBuild should be able to auto create buildOptions.txt from existing directories
then:
no buildOptions.txt will need to be shipped with MABE.
MBuild.py will auto create buildOptions.txt if none is…
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We currently have a mol2 reader, but not a writer. We should include a writer as well for consistency with the other formats in `gmso.formats`. This will also allow us to use GMSO as the backend for w…
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I ran into compilation issues with the `do_syscall` implementations, resulting in runtime SEGfaults.
I drafted a PR fixing this in #22, but that doesn't solve the root cause, just happens to trigge…
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**Bug summary**
When trying to save to a PDB file, it returns a file without bonds.
**Code to reproduce the behavior**
Please include a code snippet that can be used to reproduce this bug.
…