Hi,
When searching using bingo.exact using the query mol below, I am getting the error "direction of bond #0 makes no sense"
I see a number of "ignore" flags in the bingo_config table and set them to true (1) but they did not have any affect. Are there any flags or configurations in Bingo to avoid this error?
These are the flags I tried setting to 1.
'IGNORE_CLOSING_BOND_DIRECTION_MISMATCH','IGNORE_CISTRANS_ERRORS','IGNORE_STEREOCENTER_ERRORS','IGNORE_BAD_VALENCE'
Structure:
Query Mol:
Ketcher 07091820422D 1 1.00000 0.00000 0
6 6 0 1 0 999 V2000
-2.8717 0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8717 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0056 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1396 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1396 0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0056 0.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 1 0 0
2 3 2 0 0 0
3 4 1 0 0 0
4 5 2 0 0 0
5 6 1 1 0 0
6 1 2 0 0 0
M END