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For a case where user already has a model for PDB deposition, but it's in the PDB format and not mmCIF, the conversion tool wouldn't create a valid output probably.
Add a possibility to use a PDB file instead of mmCIF.
Possible Solution:
There is a conversion tool available at PDB services. Maybe use this or check the specs for both formats and write a custom one.
Workflow changes
In the last bit where a function is called to create an mmCIF, a function parseMmCIF is called. Before it I need to have converted a PDB file already, the rest is the same.
The text was updated successfully, but these errors were encountered:
As of now, when coordinates file is deposited in PDB format, OneDep will automatically produce a PDBx/mmCIF file from it and continue with it.
User can convert prior to deposition with pdb-extract
Descriotion:
For a case where user already has a model for PDB deposition, but it's in the PDB format and not mmCIF, the conversion tool wouldn't create a valid output probably.
Add a possibility to use a PDB file instead of mmCIF.
Possible Solution:
There is a conversion tool available at PDB services. Maybe use this or check the specs for both formats and write a custom one.
Workflow changes
In the last bit where a function is called to create an mmCIF, a function
parseMmCIF
is called. Before it I need to have converted a PDB file already, the rest is the same.The text was updated successfully, but these errors were encountered: