| Re: Importing compounds with assay data from Pubchem into Datawarrior [message #1360 is a reply to message #1358] |
Mon, 26 July 2021 21:55   |
nbehrnd
Messages: 224
Registered: June 2019
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Senior Member |
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Dear Jon,
there was indeed an problem to access and subsequently keep a local copy of the .csv files. By now, yhe support by PubChem was able to correct the underlying error. The downloaded file contains a (late) column labelled «cmpdname»
Open the file in a text editor to copy all content into the working memory of the computer. In DataWarrior, paste these information via Edit -> Paste Special -> New From Data With Header Row. Establish the structures via Chemistry -> Add Structures From Name which opens a new interface. To guide DW's action, select the column of interest, «cmpdname».
Norwid
[Updated on: Tue, 27 July 2021 23:19] Report message to a moderator |
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