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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
1 > # an NMR entry
2 > 1NMR
3 > # dna only
4 > 1zf5
5 > # dna with a ligand
6 > 292d
7 > # complex dna with prot
8 > 3od8
9 > # rna only
10 > 2krl
11 > # rna with prot
12 > 2xfm
13 > # rna with ligand
14 > 3mei
15 > # from here cullpdb20
16   7ODC    A
17   1WB4    A
18   2H6F    B
# Line 171 | Line 184
184   1RU4    A
185   2BWR    A
186   1O7I    A
187 < 1KT6    A
187 > #1KT6   A  # (SHELX entry) R free disagrees between PDB and mmCIF (see pdbwiki). Won't pass our test, skipping
188   2CKK    A
189   1JX6    A
190   2GUI    A
# Line 638 | Line 651
651   2FR5    A
652   1F8E    A
653   1KAF    A
654 < 1KQP    A
654 > #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
655   1VFY    A
656   2JDC    A
657   1TU9    A
658   1YBK    A
659   2NWF    A
660   1UTG    A
661 < 1XT5    A
661 > #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
662   1M1F    A
663   1T4B    A
664   2P8I    A
# Line 752 | Line 765
765   2HX0    A
766   2P9W    A
767   1QWN    A
768 < 2BO9    B
768 > #2BO9   B # won't pass the pdb file to pdbase test comparison for chain names because (weirdly) a non-poly chain is embedded between 2 poly chains in the PDB file producing a different chain codes mapping
769   1WCK    A
770   1VCC    A
771   1M0K    A
# Line 791 | Line 804
804   2NQW    A
805   2POF    A
806   1JEK    B
807 < 2AEB    A
807 > #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
808   2F3Z    B
809   2GQW    A
810   1IN4    A
# Line 813 | Line 826
826   2H8G    A
827   2JC9    A
828   2D5W    A
829 < 1LWB    A
829 > #1LWB   A # (SHELX entry) R free inconsistencies PDB vs mmCIF (see pdbwiki)
830   1M4J    A
831   1CXQ    A
832   1GK9    A

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