-
**Describe the bug**
Loading a PDB in the GSC throws a bunch of read errors into the log file. It seems like the program may be expecting to find atoms named C, N, O, which are in the last column (th…
-
Hello,
I have a problem about the prediction with some PDB files. You say python predict.py --pdb_dir ./examples/pdb_files -ont mf --saliency --use_backprop. But in your pridict.py, the args do…
-
We need to migrate from Openssl 1.0.2.u version to Openssl 3.0.8 (Fips 140-2 validated version). For this purpose, I had compiled the Openssl 3.0.8 version on Jenkins using Windows Batch commands tool…
-
On some environments, building the .NET 8 VMR produces errors about missing pdbs:
```
1>/builddir/build/BUILD/dotnet-8.0.1/build.proj(123,5): error : Did not find PDBs for the following SDK files:…
-
Oftentimes, PDB files are downloaded in `.pdb.gz` format. When a filepath is specified to `read_pdb`, a zipped file should be read correctly and automatically detected using the file extension.
-
Thank you for this nice library!
I'm have a question re fixing 'broken' Mols by inferring the correct valences and charges that I was hoping `datamol` could fix for me.
If I load NAP structures …
-
### Requirements
Three holdings files to be generated:
```
/pdb_ihm/holdings/current_file_holdings.json.gz
/pdb_ihm/holdings/released_structures_last_modified_dates.json.gz
/pdb_ihm/holdings/unrelea…
-
I have superdump up and running. Thank-you, this looks like just what I need.
Unfortunately, I am unsure how to set the symbol path to include my pbd files.
Do I need to edit a Dockerfile and rebuil…
-
Is there a way to encode debug information?
MSVC toolchains can embed debug information, or generate external PDB files.
GNU toolchains can also embed debug information, or [split the dwarf infor…
-
Hi, I installed ATSAS 4.0.0.2 on my PC (Win11), everything worked fine apparently but when I tried to use Crysol, I had the following error:
> crysol --prefix 6lyz --smax 0.5 --ns 501 --lm 20 --dns…