openmolecules.org Forum: Functionality » .csv data input including SMILES

Home » DataWarrior » Functionality » .csv data input including SMILES

Show: Today's Messages :: Polls :: Message Navigator

.csv data input including SMILES [message #575]

Thu, 13 June 2019 15:40

nbehrnd
Messages: 224
Registered: June 2019

Senior Member

Dear Thomas,

while importing comma-separated tables including a column containing SMILES,
I noticed DataWarrior (version 5.0.0; running in Linux) appears to work well
starting with the second line of the table only. It is not an issue related
to file endings which could be resolved by the user by unix2dos. Apparently,
DataWarrior expects the first line to be a header; which currently is not
described-as-such in the online manual pages "Loading Data into DataWarrior".

Example of hampered reading of a .csv file lacking an explicit header:
index.php?t=getfile&id=61&private=0