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root/owl/trunk/src/owl/tests/core/structure/data/cullpdb_20
(Generate patch)
# Line 1 | Line 1
1 + # adding a NMR entry to the test set (1NMR), all others are xray. NMR might have special features we want to catch
2 + 1NMR    A
3   7ODC    A
4   1WB4    A
5   2H6F    B
# Line 169 | Line 171
171   1RU4    A
172   2BWR    A
173   1O7I    A
174 < 1KT6    A
174 > #1KT6   A  # (SHELX entry) R free disagrees between PDB and mmCIF (see pdbwiki). Won't pass our test, skipping
175   2CKK    A
176   1JX6    A
177   2GUI    A
# Line 636 | Line 638
638   2FR5    A
639   1F8E    A
640   1KAF    A
641 < 1KQP    A
641 > #1KQP   A # (SHELX entry) R free in cif file is the one at sigma=4 (instead of no cutoff one). Won't pass our test, we skip it
642   1VFY    A
643   2JDC    A
644   1TU9    A
645   1YBK    A
646   2NWF    A
647   1UTG    A
648 < 1XT5    A
648 > #1XT5   A # (SHELX entry) R free in cif file is the no cutoff one and then pdbx_ls_sigma_F is 0. Inconsistent again. Won't pass our test, we skip it
649   1M1F    A
650   1T4B    A
651   2P8I    A
# Line 789 | Line 791
791   2NQW    A
792   2POF    A
793   1JEK    B
794 < 2AEB    A
794 > #2AEB   A # (SHELX entry) R free in cif file is the one at sigma=4 (instead of no cutoff one). Won't pass our test, we skip it
795   2F3Z    B
796   2GQW    A
797   1IN4    A
# Line 811 | Line 813
813   2H8G    A
814   2JC9    A
815   2D5W    A
816 < 1LWB    A
816 > #1LWB   A # (SHELX entry) R free inconsistencies PDB vs mmCIF (see pdbwiki)
817   1M4J    A
818   1CXQ    A
819   1GK9    A

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