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Need an API access token for authenticated uploads

Status: Open.

#106 In xchem/fragalysis-api;

· alanbchristie opened on Mar 21, 2023

Allow for multiple conformations for those particularly tricky systems.

Status: Open.

#102 In xchem/fragalysis-api;

· TJGorrie opened on Apr 11, 2022

Expand crystal symmetry around a ligand and include that in the alignment

Status: Open.

#101 In xchem/fragalysis-api;

· TJGorrie opened on Apr 11, 2022

Add downsampling for maps

Status: Open.

#100 In xchem/fragalysis-api;

· TJGorrie opened on Apr 11, 2022

Building docker is missing environment.yml file

Status: Open.

#99 In xchem/fragalysis-api;

· OleinikovasV opened on Mar 22, 2022

Provide new mol file to sdf writer.

Status: Open.

#98 In xchem/fragalysis-api;

· TJGorrie opened on Mar 22, 2022

aligned / unaligned ligand crisscross

Status: Open.

#97 In xchem/fragalysis-api;

· TJGorrie opened on Dec 15, 2021

Create checks for inappropriate usage of rrf mode...

Status: Open.

#95 In xchem/fragalysis-api;

· TJGorrie opened on Nov 11, 2021

Create functional spec that does entire step in memory instead of using various file steps

enhancementNew feature or requestNew feature or request

Status: Open.

#92 In xchem/fragalysis-api;

· TJGorrie opened on Aug 19, 2021

Use gemmi map mask instead of ccp4 map mask

Status: Open.

#91 In xchem/fragalysis-api;

· TJGorrie opened on Aug 19, 2021

Look into alternatives to setting space group of map?

Status: Open.

#89 In xchem/fragalysis-api;

· TJGorrie opened on Jul 23, 2021

Change the mol conversion in non-rrf mode to add chain names to ligands.

enhancementNew feature or requestNew feature or request

Status: Open.

#88 In xchem/fragalysis-api;

· TJGorrie opened on Jul 20, 2021