-
Automatically define DFG dihedral from knowing that F/W from DF/WG starts the A loop, which already has to be defined.
-
Introduce the command `ark assets`:
* Gets all assets paths with a `sectionid`
* Gets all used assetrefs within a file with a `pageid`
* Doesn't work with a `questionid`
Introduce new kind of sy…
-
```
So that we can skip the vacant molecules while doing loop14, loop13,
loop12, loop_nbp, bond, angle, dihedral, improper calculations.
```
Original issue reported on code.google.com by `ywa...@gmai…
-
Asking @hulpke and @colva - how stable are the names of primitive groups? Are we free to change them when we decide that it is sensible? While working on #34, I have seen a mix of several conventions,…
-
I encountered a RuntimeError when running the ad.run() function using a dihedral with an atom name containing a single quote (e.g., "O3'"). Here's the code I used:
```py
atom1_alpha_Dihang_residue…
-
This is from [here](http://fab.cba.mit.edu/classes/863.18/CBA/people/erik/04_3d_printing_scanning/) with `extrude` fixed to read `extrude-z`. The shape displays fine in Studio. Exporting yields an STL…
-
I'm noticing code in the desmond_parser.py
# this will fail if it's the wrong type of dihedral
if dihedralmatch:
…
-
Dear qforce developer(s),
[bug_report_qforce.zip](https://github.com/selimsami/qforce/files/8727883/bug_report_qforce.zip)
I'm attaching a pdb file of the ala-ala dipeptide which I would like to p…
-
Good day,
I am trying to generate restraints for ABFE and I am getting an error. May you please assist with this error, please find the attached document below.
[test_run.txt](https://github.co…
-
latest versions of fastai, fastcore, and nbdev: YES
fastai 2.7.12
fastcore 1.5.29
**Describe the bug**
When applying augment.Flip or augment.Dihedral to a non-square image, the output will be …