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minor update from Alison on geometry mapping reference file
1 parent ab32843 commit 9d842bd

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Lines changed: 12 additions & 12 deletions

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wwpdb/utils/dp/metal/metal_ref/coord_classes_mapping_abbr.csv

Lines changed: 12 additions & 12 deletions
Original file line numberDiff line numberDiff line change
@@ -1,4 +1,4 @@
1-
CN,Abbreviation FindGeo,Name FindGeo,Abbreviation metalCoord,Name metalCoord,Name PDB
1+
CN,Abbreviation FindGeo,Name FindGeo,Abbreviation metalCoord,Name metalCoord,Name PDB
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2,LIN,linear,LIN,linear,linear
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2,TRV,trigonal plane with a vacancy,BEN,bent,bent
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3,TRI,trigonal plane,TPL,trigonal-planar,trigonal planar
@@ -23,18 +23,18 @@ CN,Abbreviation FindGeo,Name FindGeo,Abbreviation metalCoord,Name metalCoord,Nam
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6,TPR,trigonal prism,TRP,trigonal-prism,trigonal prismatic
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6,PVA,pentagonal bipyramid with a vacancy (axial),NA,NA,pentagonal bipyramidal with vacancy
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6,PVP,pentagonal bipyramid with a vacancy (equatorial),NA,NA,pentagonal bipyramidal with vacancy
26-
6,COF,"octahedron, face monocapped with a vacancy (capped face)",NA,NA,octahedral monocapped with vacancy
27-
6,CON,"octahedron, face monocapped with a vacancy (non-capped face)",NA,NA,octahedral monocapped with vacancy
28-
6,CTF,"trigonal prism, square-face monocapped with a vacancy (capped face)",NA,NA,trigonal prismatic monocapped with vacancy
29-
6,CTN,"trigonal prism, square-face monocapped with a vacancy (non-capped edge) ",NA,NA,trigonal prismatic monocapped with vacancy
26+
6,COF,octahedron face monocapped with a vacancy (capped face),NA,NA,octahedral monocapped with vacancy
27+
6,CON,octahedron face monocapped with a vacancy (non-capped face),NA,NA,octahedral monocapped with vacancy
28+
6,CTF,trigonal prism square-face monocapped with a vacancy (capped face),NA,NA,trigonal prismatic monocapped with vacancy
29+
6,CTN,"trigonal prism square-face monocapped with a vacancy (non-capped edge) ",NA,NA,trigonal prismatic monocapped with vacancy
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6,NA,NA,SAA,sandwich_4h_2,sandwich 4h 2
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6,NA,NA,SAB,sandwich_4_2,sandwich 4 2
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6,NA,NA,SAC,sandwich_5_1,sandwich 5 1
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6,NA,NA,BSP,bicapped-square-planar,square planar bicapped
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6,NA,NA,HPL,hexagonal-planar,hexagonal planar
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7,PBP,pentagonal bipyramid,PBP,pentagonal-bipyramid,pentagonal bipyramidal
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7,CTP,"trigonal prism, square-face monocapped",CTR,capped-trigonal-prism,trigonal prismatic monocapped
37-
7,COC,"octahedron, face monocapped",NA,NA,octahedral monocapped
36+
7,CTP,trigonal prism square-face monocapped,CTR,capped-trigonal-prism,trigonal prismatic monocapped
37+
7,COC,octahedron face monocapped,NA,NA,octahedral monocapped
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7,HVA,hexagonal bipyramid with a vacancy (axial),NA,NA,hexagonal bipyramidal with vacancy
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7,HVP,hexagonal bipyramid with a vacancy (equatorial),NA,NA,hexagonal bipyramidal with vacancy
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7,CUV,cube with a vacancy,NA,NA,cubic with vacancy
@@ -47,9 +47,9 @@ CN,Abbreviation FindGeo,Name FindGeo,Abbreviation metalCoord,Name metalCoord,Nam
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8,HBP,hexagonal bipyramid,HBP,hexagonal-bipyramid,hexagonal bipyramidal
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8,CUB,cube,CUB,cubic,cubic
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8,SQA,square antiprism,SQA,square-antiprismatic,square antiprismatic
50-
8,BOC,"octahedron, trans-bicapped",NA,NA,octahedral bicapped
51-
8,BTS,"trigonal prism, square-face bicapped",NA,NA,trigonal prismatic bicapped
52-
8,BTT,"trigonal prism, triangular-face bicapped",ETB,elongated-triangular-bipyramid,trigonal prismatic bicapped
50+
8,BOC,octahedron trans-bicapped,NA,NA,octahedral bicapped
51+
8,BTS,trigonal prism square-face bicapped,NA,NA,trigonal prismatic bicapped
52+
8,BTT,trigonal prism triangular-face bicapped,ETB,elongated-triangular-bipyramid,trigonal prismatic bicapped
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8,NA,NA,SAH,sandwich_4h_4h,sandwich 4h 4h
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8,NA,NA,SAI,sandwich_7_1,sandwich 7 1
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8,NA,NA,SAJ,sandwich_4h_4,sandwich 4h 4
@@ -59,8 +59,8 @@ CN,Abbreviation FindGeo,Name FindGeo,Abbreviation metalCoord,Name metalCoord,Nam
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8,NA,NA,BOC,bicapped-octahedral,octahedral bicapped
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8,NA,NA,SAM,sandwich_6_2,sandwich 6 2
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8,NA,NA,DOD,dodecahedral,dodecahedral
62-
9,TTP,"trigonal prism, square-face tricapped",TCP,tricapped-trigonal-prismatic,trigonal prism tricapped
63-
9,CSA,"square antiprism, square-face monocapped",NA,NA,square antiprismatic monocapped
62+
9,TTP,trigonal prism square-face tricapped,TCP,tricapped-trigonal-prismatic,trigonal prism tricapped
63+
9,CSA,square antiprism square-face monocapped,NA,NA,square antiprismatic monocapped
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9,NA,NA,SAO,sandwich_7_2,sandwich 7 2
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9,NA,NA,SAP,sandwich_5_tricapped_i,sandwich 5 tricapped i
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9,NA,NA,SAQ,sandwich_5_4h,sandwich 5 4h
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