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Hi, I was trying to run Kinbot but got some issues.
Environment:
Python 3.6
Queue: Slurm
What I have done:
- I have cloned `Kinbot` and `ASE` under `zadorlab` and installed `pybel`, `rdkit` a…
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- [X] I believe this to be a bug with Open Babel
- [ ] This is a feature request
## Environment Information
Open Babel version: 3.0.0
Operating system and version: all
## Expected Behavior
…
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Hello,
I´ve been at this for the last couple of days but I can´t get rid of this paticular problem.
I´m not completly certain if I have openbabel properly installed but I really hope so because I f…
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- [ ] I believe this to be a bug with Open Babel
- [ ] This is a feature request
## Environment Information
Open Babel version: 2.4.1
Operating system and version:windows anaconda python2.7…
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```
platform: macOS Catalina
python: 3.7.7
```
With reference to #46 I have commented out the three lines from `supplemental.py`
Error:
```
$ python3 plip/plipcmd.py -I 6lu7
/usr/local…
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for some reason the way you write the csv file does not produce valid json:
e.g. this string:
'evidence': 'Coordinate regulation of intracellular signaling pathways is central to the ability of …
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I'm trying to load .pdb files using molgrid.ExampleProvider().
This is the code I wrote:
```
import molgrid
import os
thisdir = os.getcwd() + '/'
fname = thisdir + 'bind.types'
exprovider…
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- [x] I believe this to be a bug with Open Babel
- [ ] This is a feature request
## Environment Information
Open Babel version:
Operating system and version: windows 10 / 7
## Expected B…
-
- [x] I believe this to be a bug with Open Babel
- [ ] This is a feature request
## Environment Information
Open Babel version: 3.0.0
Operating system and version: CentOS-7.7
## Expected Beha…
-
- [ ] I believe this to be a bug with Open Babel
- [ ] This is a feature request
## Environment Information
Open Babel version:3.1.1
Operating system and version: Ubuntu 18.04 LTS (GNU/Linu…