From a1f00e6db9eae51197665e96c96fb313920fbc01 Mon Sep 17 00:00:00 2001 From: Aiko Muraishi Date: Thu, 11 Dec 2025 16:59:20 -0800 Subject: [PATCH 1/2] fix: include is_non_loopy=true to the example --- models/rfd3/docs/symmetry.md | 8 ++++++-- 1 file changed, 6 insertions(+), 2 deletions(-) diff --git a/models/rfd3/docs/symmetry.md b/models/rfd3/docs/symmetry.md index fb4f303..faa0688 100644 --- a/models/rfd3/docs/symmetry.md +++ b/models/rfd3/docs/symmetry.md @@ -88,6 +88,7 @@ The tasks that these examples describe are as follows: "ligand": "ORO,ZN", "unindex": "A250", "length": 130, + "is_non_loopy": true, "select_fixed_atoms": { "A250": "OD1,CG" } @@ -101,6 +102,7 @@ The tasks that these examples describe are as follows: "ligand": "DXC", "unindex": "A16,A40,A100,A103", "length": 80, + "is_non_loopy": true, "select_fixed_atoms": { "A16": "OH,CZ,CE1,CE2", "A40": "OD2,CG", @@ -118,11 +120,12 @@ The tasks that these examples describe are as follows: "ligand": "HEM", "contig": "51,M52,80", "length": null, + "is_non_loopy": true, "select_fixed_atoms": { "M52": "CG,SD,CE" } }, - "uncond_unsym_C3_6t8h": { + "unsym_C3_6t8h": { "symmetry": { "id": "C3", "is_symmetric_motif": true, @@ -130,7 +133,8 @@ The tasks that these examples describe are as follows: }, "input": "symmetry_examples/6t8h_C3.pdb", "contig": "150-150,/0,Y1-11,/0,Z16-25", - "length": null + "length": null, + "is_non_loopy": true } } ``` \ No newline at end of file From 5f0681976ce538d8dc922c2ff20f246ffe0cfeca Mon Sep 17 00:00:00 2001 From: Aiko Muraishi Date: Thu, 11 Dec 2025 17:32:59 -0800 Subject: [PATCH 2/2] fix: is_non_loopy=true only for unconditional --- models/rfd3/docs/symmetry.md | 5 ++--- 1 file changed, 2 insertions(+), 3 deletions(-) diff --git a/models/rfd3/docs/symmetry.md b/models/rfd3/docs/symmetry.md index faa0688..ac0e3e2 100644 --- a/models/rfd3/docs/symmetry.md +++ b/models/rfd3/docs/symmetry.md @@ -43,6 +43,7 @@ The following provides a general overview of the types of symmetry and examples { "uncond_C15": { "length": 100, + "is_non_loopy": true, "symmetry": { "id": "C15" } @@ -57,6 +58,7 @@ The following provides a general overview of the types of symmetry and examples { "uncond_D4": { "length": 100, + "is_non_loopy": true, "symmetry": { "id": "D4" } @@ -88,7 +90,6 @@ The tasks that these examples describe are as follows: "ligand": "ORO,ZN", "unindex": "A250", "length": 130, - "is_non_loopy": true, "select_fixed_atoms": { "A250": "OD1,CG" } @@ -102,7 +103,6 @@ The tasks that these examples describe are as follows: "ligand": "DXC", "unindex": "A16,A40,A100,A103", "length": 80, - "is_non_loopy": true, "select_fixed_atoms": { "A16": "OH,CZ,CE1,CE2", "A40": "OD2,CG", @@ -120,7 +120,6 @@ The tasks that these examples describe are as follows: "ligand": "HEM", "contig": "51,M52,80", "length": null, - "is_non_loopy": true, "select_fixed_atoms": { "M52": "CG,SD,CE" }