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Bioclipse script to Split SDfile

Created: 2010-04-09 14:52:02

Credits: De maas

License: Creative Commons Attribution-Share Alike 3.0 Unported License

File type: JavaScript

Comments: 0 | Viewed: 33 times | Downloaded: 25 times

Download Structures from PubChem given che... (1)

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This workflow takes the input file containing chemical names and returns a single SDF file of structures. The names are searched against pubchem compounds via e-search. If the compound name is found an XML file containing PubChem ID is returned.The max return compound_ID is set to 1 which could be increased. If the compound name is not found then no ID is returned.  The pubchem compound_ID is then used to download structures from PubChem.  

Created: 2011-05-24 | Last updated: 2011-05-24

Credits: Kalai Michael Gerlich

Attributions: Download Entries from PubChem

Split string into string list, new line se... (1)

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Split string into string list using new line as separator. Should work in Linux, Mac and Windows.

Created: 2011-08-15 | Last updated: 2014-02-26

Credits: Rafael C. Jimenez