BJWiley23
BJWiley23
When I follow instructions for building reference with Bowtie2 then when calculating the expression I get the error: ``No genome information provided, so genome bam file cannot be generated!`` But...
## Environment Information Open Babel version: 3.1.0 and python bindings Operating system and version: Linux, Ubuntu 18.04 ## Expected Behavior When reversing the indices of a PDB molecule with openbabel...
Does the `--sdf` argument dump anything? I just see it's a boolean but nothing it done with it in `xyz2mol.py`
Not sure what I am missing with the unix assembly boost module. Only running without charmc will actually make the ASM object. Meaning this doesn't output an `-o *.S.o` object...
I get a failure installing with `mpi-darwin-x86_64-gcc` IMMEDIATELY building charm because of hwloc module. This is the error in the config.log. I wonder if it has to do with the...
This seems trivial but all the [documentation](https://charm.readthedocs.io/en/latest/libraries/manual.html?highlight=install#multi-phase-shared-arrays-library) says after building, "cd to your /tmp/libs ..." to make the libraries. Every time I build with `./build LIBS mpi-darwin-x86_64` I ONLY see...
I am interested why I see 2 different compiler used during build (not sure if this is cause of build failure) in the `charmconfig.out` file during my build using Gnu...
Hi, I am using cwltool version 3.0.20201203173111 that came with `pip install cwl-runner`. This might be issue with ruamel or with my workflow but here is run command and trace:...
I think pdbfixer will benefit from and I am willing to work on at least the first (the easier of the 2 😄 ) and eventually the second one if...
Hi Dr. Ponder, I noticed while trying to visualize PDB files of solvated systems that the spacing is off after running `xyzpdb`. You will see pdbfixer says the spacing is...