-
Upon @tami5's request,
Here be discussion for making FEY work for YOU as a modular framework!
-
Running Mac OS 10.15.6 and python 3.7 and get a Seg Fault when calling compute_dssp on trajectory data for mdtraj 1.9.4. For reference, when I run this exact same setup and input on Ubuntu 18.04, I do…
-
Great project! I'm currently incorporating spyrmsd in my conformer generation code. Everything is fine except when there are fewer number of heavy atoms when I seem to run into some convergence proble…
-
I checked the official documentation and found that leastsq does not provide additional solver options, why not provide other solvers like the optimize.minimize function.The only valid information I g…
-
When running with the following config:
```python
IMAGE_FILES = sorted(glob.glob("/data/pilot/EPOCH01/COMBINED/STOKESI_IMAGES/*.fits")) + \
sorted(glob.glob("/data/pilot/EPOCH02/COMBINED/ST…
-
Weird bug with a data set happened when adding the option `--usez`; and only with some values of `--emin` and `--emax`.
For example, `--emin=0.4 --emax=2.0` works fine, but `--emin=0.3 --emax=2.0` do…
-
There seems to be an issue with the variogram fitting procedure. In "scipy/optimize/minpack.py", the call to the "least_squares" is returning the error "ValueError: Each lower bound must be strictly …
-
I'm using `run_examples` and I'm trying to run all examples in a fresh session. Seems that `run` and `test` are deprecated but are the only option to running all tests with `fresh`:
```r
devtools:…
-
I open this issue to discuss the changes to SPEC in order to write all output quantities into a single HDF5 file. The work happens on the branch "issue68".
In order no to spam the issue tracker, I …
-
**Describe the bug**
when I entered the command 'cellfinder_train -y D:\AM_tiff\output\points\training.yml -o D:\AM_tiff\output\points'
there is an error ''cellfinder_train' is not recognized as an …