Ismael Rodriguez Espigares

Request for ACEMD supporting CGenFF 4.0 halogen groups

3

There are any future plans for ACEMD to support colinear lone pairs in NAMD Drude-like PSF format? These are necessary for CGenFF 4.0 halogens. See issue #853.

mdsrv REST API responses have default Content-Type header 'text/html'

3

The mdsrv REST API commands that do not trigger a file download generate responses with 'text/html' Content-Type (mimetype) header. This content-types does not match the given output. I recommend adding...

UPDATE: Ligand search

2

Adds new features to Ligand search (query by ligand): - Bulk search by name and database ID - Chemical structure search

See comments added in the commit

AttributeError at /signprot/gbb1_human/'NoneType' object has no attribute 'slug' Request Method: | GET -- | -- ``` http://0.0.0.0:8000/signprot/gbb1_human/ 2.2.17 AttributeError 'NoneType' object has no attribute 'slug' /Users/zhg791/protwis/signprot/views.py in signprotdetail, line 1503...