Merge branch 'main' into Issue-CBDD#59/refactor-sdtether

SunBright-Technologies · Feb 1, 2024 · 5d0d59b · 5d0d59b
2 parents de92039 + 6526217
commit 5d0d59b
Showing 1 changed file with 1 addition and 0 deletions.
diff --git a/rdock-utils/rdock_utils/sdtether_original.py b/rdock-utils/rdock_utils/sdtether_original.py
@@ -245,6 +245,7 @@ def main(argv=None):
                     bestCoord = bestCoordPerMatch[irefmatch][imatch]
                     bestRMS = bestRMSPerMatch[irefmatch][imatch]
                     print(f"\tBest RMSD reached (match {imatch}, refmatch {irefmatch}): {bestRMS:.4f}")
+
                     molMatchID = molMatchAllIds[imatch]
                     updateCoords(mol, bestCoord)
                     newData = pybel.ob.OBPairData()