Commit 58d7e171 by Maarten L. Hekkelman

Add Anomalous remark 3 fields for phenix

parent 57618095
......@@ -330,8 +330,14 @@ const TemplateLine kPHENIX_Template[] = {
/* 60 */ { R"(S11\s*:\s*(.+) S12\s*:\s*(.+) S13\s*:\s*(.+))", 1, "pdbx_refine_tls", { "S[1][1]", "S[1][2]", "S[1][3]" } },
/* 61 */ { R"(S21\s*:\s*(.+) S22\s*:\s*(.+) S23\s*:\s*(.+))", 1, "pdbx_refine_tls", { "S[2][1]", "S[2][2]", "S[2][3]" } },
/* 62 */ { R"(S31\s*:\s*(.+) S32\s*:\s*(.+) S33\s*:\s*(.+))", 48 - 62, "pdbx_refine_tls", { "S[3][1]", "S[3][2]", "S[3][3]" } },
/* 63 */ { R"(NCS DETAILS)", 1 },
/* 64 */ { R"(NUMBER OF NCS GROUPS\s*:\s*(.+))", 1 },
/* 63 */ { R"(ANOMALOUS SCATTERER GROUPS DETAILS\.)", 1 },
/* 64 */ { R"(NUMBER OF ANOMALOUS SCATTERER GROUPS\s*:\s*\d+)", 1 },
/* 65 */ { R"(ANOMALOUS SCATTERER GROUP\s*:\s*\d+)", 1 },
/* 66 */ { R"(SELECTION: .+)", 1 },
/* 67 */ { R"(fp\s*:\s*.+)", 1 },
/* 68 */ { R"(fdp\s*:\s*.+)", 63 - 68 },
/* 69 */ { R"(NCS DETAILS)", 1 },
/* 70 */ { R"(NUMBER OF NCS GROUPS\s*:\s*(.+))", 1 },
};
class PHENIX_Remark3Parser : public Remark3Parser
......
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