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Version bump, update mmcif_pdbx.dic

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This commit is contained in:
Maarten L. Hekkelman
2025-06-10 09:17:30 +02:00
parent ce6a75a920
commit 5de872bbb3
3 changed files with 49 additions and 4 deletions
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2
CMakeLists.txt
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@@ -32,7 +32,7 @@ endif()
# set the project name
project(
libcifpp
VERSION 8.0.1
VERSION 8.0.2
LANGUAGES CXX)
list(PREPEND CMAKE_MODULE_PATH "${CMAKE_CURRENT_SOURCE_DIR}/cmake")

4
changelog
View File

@@ -1,3 +1,7 @@
Version 8.0.2
- _atom_site.auth_alt_id does not exist, it should be
_atom_site.pdbx_auth_alt_id of course.
Version 8.0.1
- Fix cif::mm::structure::cleanup_empty_categories, removed too much
- Add default value for B_iso_or_equiv in residue::create_new_atom

47
rsrc/mmcif_pdbx.dic
View File

@@ -9,7 +9,7 @@ _datablock.description
#
_dictionary.title mmcif_pdbx.dic
_dictionary.datablock_id mmcif_pdbx.dic
_dictionary.version 5.403
_dictionary.version 5.404
#
loop_
_dictionary_history.version
@@ -3292,6 +3292,18 @@ Changes (ep):
+ Add 'M' to _em_software.name enumeration.
;
5.404 2025-06-01
;
Changes (ep):
+ Add DeepEMhancer to _em_software.name enumeration
+ Add HexAuFoil to _em_sample_support.grid_type enumeration
+ Add "PSI JUNGFRAU 9M" and "PSI JUNGFRAU 10M" detectors to
_diffrn_detector.type
+ Add "N6-benzoyllysine", "N6-isonicotinyllysine",
and "N6-methacryllysine" to enumeration list for
_pdbx_chem_comp_pcm.type and _pdbx_modification_feature.type
;
#
loop_
_sub_category.id
@@ -3838,13 +3850,13 @@ _pdbx_dictionary_component.datablock_id
_pdbx_dictionary_component.dictionary_component_id
_pdbx_dictionary_component.title
_pdbx_dictionary_component.version
mmcif_pdbx-base.dic mmcif_pdbx-base.dic "mmCIF/PDBx base dictionary" 0.39
mmcif_pdbx-base.dic mmcif_pdbx-base.dic "mmCIF/PDBx base dictionary" 0.40
mmcif_xfel_extensions-v3.dic mmcif_xfel_extensions-v3.dic "PDBx/mmCIF XFELDictionary License Extension" 0.0.2
mmcif_pdbx_audit_support-extension.dic mmcif_pdbx_audit_support-extension.dic "mmCIF/PDBx Audit support extension" 0.24
mmcif_pdbx_sifts.dic mmcif_pdbx_sifts.dic "PDBx/mmCIF Dictionary Sifts Extension" 0.0.2
mmcif_pdbx_license.dic mmcif_pdbx_license.dic "PDBx/mmCIF Dictionary License Extension" 0.0.1
initial-model-extension.dic initial-model-extension.dic "PDBx/mmCIF Initial model extension" 0.10
ptm-extension.dic ptm-extension.dic "PDBx/mmCIF PTM extension" 0.10
ptm-extension.dic ptm-extension.dic "PDBx/mmCIF PTM extension" 0.11
#
loop_
_pdbx_dictionary_component_history.dictionary_component_id
@@ -4181,6 +4193,15 @@ Changes (ep):
+ Add 'M' to _em_software.name enumeration.
;
mmcif_pdbx-base.dic 0.40 2025-06-01
;
Changes (ep):
+ Add DeepEMhancer to _em_software.name enumeration
+ Add HexAuFoil to _em_sample_support.grid_type enumeration
+ Add "PSI JUNGFRAU 9M" and "PSI JUNGFRAU 10M" detectors to
_diffrn_detector.type
;
mmcif_xfel_extensions-v3.dic 0.0.1 2023-05-31
;
Changes (ep):
@@ -4606,6 +4627,16 @@ ptm-extension.dic 0.10 2024-11-26
_pdbx_modification_feature.type
;
ptm-extension.dic 0.11 2024-06-01
;
Changes (dh/ep)
+ added "N6-benzoyllysine", "N6-isonicotinyllysine",
and "N6-methacryllysine"
type to enumeration list for
_pdbx_chem_comp_pcm.type
_pdbx_modification_feature.type
;
#
loop_
_pdbx_item_linked_group.category_id
@@ -21911,6 +21942,8 @@ save__diffrn_detector.type
"_diffrn_detector.type" "PSI JUNGFRAU 1M" PIXEL
"_diffrn_detector.type" "PSI JUNGFRAU 4M" PIXEL
"_diffrn_detector.type" "PSI JUNGFRAU 8M" PIXEL
"_diffrn_detector.type" "PSI JUNGFRAU 9M" PIXEL
"_diffrn_detector.type" "PSI JUNGFRAU 10M" PIXEL
"_diffrn_detector.type" "PSI JUNGFRAU 16M" PIXEL
"_diffrn_detector.type" "PSI PILATUS 6M" PIXEL
"_diffrn_detector.type" "RAYONIX MX-225" CCD
@@ -117761,6 +117794,7 @@ save__em_sample_support.grid_type
"_em_sample_support.grid_type" "Quantifoil Active R2/1" .
"_em_sample_support.grid_type" "Quantifoil Active R1.6/0.9" .
"_em_sample_support.grid_type" "Quantifoil Active R1.2/0.8" .
"_em_sample_support.grid_type" HexAuFoil .
"_em_sample_support.grid_type" UltrAuFoil .
"_em_sample_support.grid_type" "UltrAuFoil R0./1" .
"_em_sample_support.grid_type" "UltrAuFoil R1.2/1.3" .
@@ -126147,6 +126181,7 @@ save__em_software.name
"_em_software.name" CTFPHASEFLIP .
"_em_software.name" CTFTILT .
"_em_software.name" DE-IM .
"_em_software.name" DeepEMhancer .
"_em_software.name" DIALS .
"_em_software.name" DigitalMicrograph .
"_em_software.name" DireX .
@@ -168351,6 +168386,9 @@ save__pdbx_chem_comp_pcm.type
Methylsulfanylation .
Methylsulfation .
Myristoylation .
N6-benzoyllysine .
N6-isonicotinyllysine .
N6-methacryllysine .
"N-pyruvic acid 2-iminylation" .
N-methylcarbamoylation .
Nitration .
@@ -169337,6 +169375,9 @@ save__pdbx_modification_feature.type
Methylsulfanylation .
Methylsulfation .
Myristoylation .
N6-benzoyllysine .
N6-isonicotinyllysine .
N6-methacryllysine .
"N-pyruvic acid 2-iminylation" .
N-methylcarbamoylation .
Nitration .