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Releases: DeepRank/pdb2sql

Update to 0.5.3

15 Mar 16:19
2ce3bd1

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Fix residue matching when computing RMDSs

0.5.2

23 Jun 14:27

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  • Fix some bugs

0.5.1

07 Mar 15:45

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  • Updated compute_CapriClass conditions

0.5.0

18 Sep 12:29

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  • Added atom name selelction for lrmsd calculation
  • Removed hardcoded chainIDs and added chainID selection in StructureSimilarity

0.4.0

27 May 15:31
7a6d7cd

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  • Added many2sql to support read multiple PDB files
  • Added support for Path objects of input PDB files
  • Added support for help(pdb2sql)
  • Updated assignment of chain IDs in StructureSimilarity

0.3.0

28 Mar 11:37

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  • Added align to superpose a structure to a specific axis or plane
  • Added superpose to superpose two structures based on selections
  • Added fetch to download PDB file with given PDB ID
  • Updated interface object to take pdb2sql object as input

0.2.5

04 Feb 09:15

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  1. add CITATION.cff
  2. add .zenodo.json

pdb2sql

09 Dec 16:04

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Main updates:

  1. Add unit tests
  2. Add documentation

pdb2sql

25 Oct 15:36
2bebbfb

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pdb2sql Pre-release
Pre-release

Update transform and add corresponding tests.

pdb2sql

23 Oct 13:07
06a67a3

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Update :
.* no extra was removed
.* init was updated
.* read not only pdb but list and numpy arrays

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