-
## Actual behavior ##
Hello to all,
I found that MDAnalysis was significantly slower to read trr files than pytraj. With the test files included in MDAnalsyis, MDAnalysis is 6x slower than pytr…
-
Hi everyone,
The repo looks very interesting. I was wondering if you had the pdb structure you started out with and put through tleap that matches the coordinates of the mol2 files.
I think in t…
-
Chromum uses Go for various build tools, including the up-and-coming siso build tool. Windows has a rich set of tools (better than on Linux in many ways) for debugging and profiling. All Windows execu…
-
This crash happens when opening multi-molecule .pdb files such as those found on this website:
http://www.ime.unicamp.br/~martinez/packmol/
One of those "bilayer.pdb" is attached. This crash does NOT…
cryos updated
8 years ago
-
It has been brought to my attention that the current `libcifpp` package doesn't currently include the [Chemical Component Dictionary](https://www.wwpdb.org/data/ccd). I believe `libcifpp` looks in [`$…
-
--edit: OK, this is not relevant.
```
[mm] Desktop$ qlmanage -p U6_ISL_minimal.pdb
Testing Quick Look preview with files:
U6_ISL_minimal.pdb
2018-06-20 16:42:24.053 qlmanage[1344:23216] *** CF…
-
-
In #1862, I added coordinate & topology readers and writers based on chemfiles, which are disabled by default. I am opening this issue to discuss the future of this code, and how to make it available …
-
As per discussion in #3220, I stupidly volunteered to look at the structure files used by the test_PDB_*.py files. I've generated the attached spreadsheet which attempts to list the files and what th…
-
FreeCAD_weekly-builds-24894-Win-Conda_vc14.x-x86_64.7z
crash on win 10 laptop while starting within RDP session. The blank main window appears immediately following with two crash windows
If i start…