-
Can you share your approach to building the dataset? For example, write json from a cif structure
-
Hi all!
Installing diffpy.structure v3.2.0 from PyPI into a Python 3.11.9 environment with
```bash
pip install diffpy.structure
```
and running
```python
>>> from diffpy.structure impor…
-
Hello,
Please can you provide a link or guidance on how to generate CIF files for nonstandard residues.
Thanks,
Dave
-
**What happened**:
the cifs credentials are given as mount process arguments, so they appear in the process table and are recorded by auditing tools
https://github.com/kubernetes-sigs/azuref…
-
Hi, impossible to mount cifs share (samba on archlinux) with:
`mount error(95): Operation not supported`
Problem solved with : vers=3.0 option added to manual cifs mounting option.
I think it would…
-
Hi,
Is there a way using `diffpy.structure` to save a CIF with the correct space group instead of using 'P 1'?
-
ZFS / Samba Host:
Debian 12
12.6
Kernel 6.1.0-23-amd64
x86_64
zfs-2.2.5-1~bpo12+1
cifs / qemu-img client accessing samba share
Proxmox 8
8.2.4
Kernel 6.8.12-1-pve
x86_64
zfs version…
-
I am running into "could not find CIFs" error when running `run_from_fasta.py` file and please find the command below.
Attached is the screenshot for the same
Command I am running:
`python …
-
Hi,
I'm trying to use the prody_align function to align two selections and if I use mmCIF files as input the calcRMSD function would return a `float divison by zero` exception while if I use the p…
-
When using dic2owl to create cif_core.tll I get the following error:
```
Traceback (most recent call last):
File "/Users/n00002621/Library/Python/3.11/bin/dic2owl", line 8, in
sys.exit(ma…