Maarten L. Hekkelman 12ee4a792c pdb2cif work

2024-01-29 13:00:50 +01:00

..

reconstruct

- changed compound::is_known_peptide/is_know_base

2024-01-24 16:14:08 +01:00

1juh.cif.gz

using index in category

2022-10-03 16:22:32 +02:00

2bi3.cif.gz

symmetry operations now working correctly

2023-04-13 11:42:59 +02:00

3bwh.cif.gz

test data

2023-04-17 20:54:57 +02:00

4wvp.cif.gz

more test cases

2023-04-17 18:56:02 +02:00

format-test.cpp

Work on WIN32 with or without CCP4

2023-11-29 13:11:13 +01:00

HEM.cif

Reactivated several structure methods

2022-10-03 09:32:20 +02:00

io-test.cpp

faster cif parser

2023-06-07 11:19:35 +02:00

model-test.cpp

Work on WIN32 with or without CCP4

2023-11-29 13:11:13 +01:00

pdb1cbs.ent.gz

Add formula_weight to entity in pdb2cif

2023-12-13 16:27:41 +01:00

REA_v2.cif

More documentation

2023-09-13 10:22:28 +02:00

REA.cif

Use index in lookup, when available

2022-10-04 13:57:38 +02:00

reconstruction-test.cpp

pdb2cif work

2024-01-29 13:00:50 +01:00

rename-compound-test.cpp

Moved data file components.cif to rsrc

2023-12-05 11:53:39 +01:00

RXA.cif

Use index in lookup, when available

2022-10-04 13:57:38 +02:00

spinner-test.cpp

Work on WIN32 with or without CCP4

2023-11-29 13:11:13 +01:00

sugar-test.cpp

Work on WIN32 with or without CCP4

2023-11-29 13:11:13 +01:00

test-main.cpp

PDBx validation and reconstruction code, take 1

2024-01-02 15:27:26 +01:00

test-main.hpp

Change testing framework to Catch2

2023-11-22 17:06:07 +01:00

UN_.cif

Use index in lookup, when available

2022-10-04 13:57:38 +02:00

unit-3d-test.cpp

Work on WIN32 with or without CCP4

2023-11-29 13:11:13 +01:00

unit-v2-test.cpp

- renamed exists to contains

2024-01-17 16:31:18 +01:00

validate-pdbx-test.cpp

sequence recovery and validation

2024-01-02 16:54:04 +01:00