27 lines
999 B
INI
27 lines
999 B
INI
[ERRORS]
|
|
OD00 = Failed to import Open Drug Discovery Tooklit. Please ensure you have correctly installed ODDT
|
|
OD01 = Could not convert SMILES to molecule, please check the SMILES
|
|
OD02 = Failed to add charges to molecule
|
|
OD03 = Failed to write the converted PDBQT file
|
|
|
|
PL00 = Failed to import PLIP, please ensure that you have correctly installed PLIP
|
|
PL01 = Failed to fetch the PDB, please check the PDB Code
|
|
|
|
DB00 = Failed to connect to the database.
|
|
DB01 = This Job ID does not exist 😠. If you think this is an error, please contact us.
|
|
DB02 = Unknown Hostname, failed to connect to the database.
|
|
|
|
CW01 = Looks like an invalid PDB ID
|
|
|
|
PC00 = Could not find any compound on PubChem matching the query.
|
|
|
|
RD00 = Failed to import RDKit.
|
|
RD01 = Could not convert SMILES to molecule, please check the SMILES
|
|
|
|
[ALERT_SMARTS]
|
|
ESTER = [#6][CX3](=O)[OX2H0][#6]
|
|
ANILINE = [NX3][$(C=C),$(cc)]
|
|
|
|
[ALERT_DESCRIPTION]
|
|
ESTER = The given compound contains Ester. For more details read the paper.
|
|
ANILINE = None |