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fix coordinates writing in cif pockets

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Issue observed while running fpocket on the PDB 7uit
This commit is contained in:
PeyratG
2024-03-13 15:22:39 +01:00
committed by GitHub
parent 2bfce34457
commit b40990afb5
1 changed files with 1 additions and 1 deletions
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src/writepdb.c
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@@ -238,7 +238,7 @@ void write_mmcif_atom_line(FILE *f, const char rec_name[], int id, const char at
if (abpa)
finalabpa = abpa_prob;
status = fprintf(f, "%-7s %-6s %3s %4s %c %4s %6s %d %c %8.3f%8.3f%8.3f%6.2f %2s %d %s\n",
status = fprintf(f, "%-7s %-6s %3s %4s %c %4s %6s %d %c %8.3f %8.3f %8.3f %6.2f %2s %d %s\n",
rec_name, id_buf, symbol, atom_name,alt_loc, res_name, label_asym_id, label_seq_id,insert, x, y, z, occ, charge_buf, res_id,chain);
}