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Issues list

Need an API access token for authenticated uploads
#106 opened Mar 21, 2023 by alanbchristie
Allow for multiple conformations for those particularly tricky systems.
#102 opened Apr 11, 2022 by TJGorrie
Expand crystal symmetry around a ligand and include that in the alignment
#101 opened Apr 11, 2022 by TJGorrie
Add downsampling for maps
#100 opened Apr 11, 2022 by TJGorrie
Building docker is missing environment.yml file
#99 opened Mar 22, 2022 by OleinikovasV
1
Provide new mol file to sdf writer.
#98 opened Mar 22, 2022 by TJGorrie
@TJGorrie
aligned / unaligned ligand crisscross
#97 opened Dec 15, 2021 by TJGorrie
Create checks for inappropriate usage of rrf mode...
#95 opened Nov 11, 2021 by TJGorrie
Create functional spec that does entire step in memory instead of using various file steps enhancement New feature or request
#92 opened Aug 19, 2021 by TJGorrie
@TJGorrie
Use gemmi map mask instead of ccp4 map mask
#91 opened Aug 19, 2021 by TJGorrie
Look into alternatives to setting space group of map?
#89 opened Jul 23, 2021 by TJGorrie
Change the mol conversion in non-rrf mode to add chain names to ligands. enhancement New feature or request
#88 opened Jul 20, 2021 by TJGorrie
@TJGorrie
1
Figure out why certain pdb files do not align bug Something isn't working
#87 opened Jul 20, 2021 by TJGorrie
@TJGorrie
Enable Multicore processing enhancement New feature or request
#86 opened Jun 28, 2021 by TJGorrie
@TJGorrie
Frank's Stuff (To be ticketed)
#85 opened Jun 24, 2021 by TJGorrie
Wrap target upload to allow curl/CLI upload enhancement New feature or request
#84 opened Jun 23, 2021 by reskyner
@TJGorrie
Run xcimporter as a python function instead of calling script in pipelines enhancement New feature or request
#83 opened Jun 23, 2021 by reskyner
@TJGorrie
Warn user when structure contains really small chain enhancement New feature or request
#82 opened Jun 23, 2021 by reskyner
@TJGorrie
Optional argument to reference Fragalysis-api endpoints and add input to set? enhancement New feature or request
#81 opened Jun 23, 2021 by TJGorrie
@TJGorrie
Some project data cannot be downloaded
#76 opened Feb 28, 2021 by rsanchezgarc
get_blast2 removed from pypdb in version 2 High priority
#72 opened Jan 19, 2021 by reskyner
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