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fix: is_non_loopy=true only for unconditional
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@@ -43,6 +43,7 @@ The following provides a general overview of the types of symmetry and examples
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{
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"uncond_C15": {
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"length": 100,
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"is_non_loopy": true,
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"symmetry": {
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"id": "C15"
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}
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@@ -57,6 +58,7 @@ The following provides a general overview of the types of symmetry and examples
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{
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"uncond_D4": {
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"length": 100,
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"is_non_loopy": true,
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"symmetry": {
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"id": "D4"
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}
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@@ -88,7 +90,6 @@ The tasks that these examples describe are as follows:
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"ligand": "ORO,ZN",
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"unindex": "A250",
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"length": 130,
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"is_non_loopy": true,
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"select_fixed_atoms": {
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"A250": "OD1,CG"
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}
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@@ -102,7 +103,6 @@ The tasks that these examples describe are as follows:
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"ligand": "DXC",
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"unindex": "A16,A40,A100,A103",
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"length": 80,
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"is_non_loopy": true,
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"select_fixed_atoms": {
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"A16": "OH,CZ,CE1,CE2",
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"A40": "OD2,CG",
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@@ -120,7 +120,6 @@ The tasks that these examples describe are as follows:
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"ligand": "HEM",
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"contig": "51,M52,80",
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"length": null,
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"is_non_loopy": true,
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"select_fixed_atoms": {
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"M52": "CG,SD,CE"
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}
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