Tag Results

Items tagged with "sdf" (4)

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Files (3)
Uploader

Blob Bioclipse script to Split SDfile

Created: 09/04/10 @ 14:52:02

Credits: User De maas

License: Creative Commons Attribution-Share Alike 3.0 Unported License

BioClipse script to split a SD-file into multiple smaller SDfiles. Convenient for batch processing.

File type: JavaScript

Rating: 0.0 / 5 (0 ratings) | Comments: 0 | Viewed: 13 times | Downloaded: 7 times

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Uploader

Blob filter a sdfile by a list of ids

Created: 05/10/10 @ 11:17:35 | Last updated: 05/10/10 @ 11:18:37

Credits: User De maas

License: Creative Commons Attribution-Share Alike 3.0 Unported License

Used an array to hold the ids but I'm curious if there is a better way like a (sorted) list or an index file.

File type: JavaScript

Rating: 0.0 / 5 (0 ratings) | Comments: 0 | Viewed: 9 times | Downloaded: 6 times

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Uploader

Blob filter a sdfile by a list of ids, keep in memory

Created: 05/10/10 @ 14:40:24 | Last updated: 05/10/10 @ 14:40:26

Credits: User De maas

License: Creative Commons Attribution-Share Alike 3.0 Unported License

In order to speedup a second run keep the sd-file in memory. So use a list in stead of a iterator which reads from disk.

File type: JavaScript

Rating: 0.0 / 5 (0 ratings) | Comments: 0 | Viewed: 8 times | Downloaded: 7 times

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Workflows (1)

Workflow Calculate molecular mass for entries in a ... (1)

Created: 08/03/10 @ 09:46:03

Credits: User

License: Creative Commons Attribution-Share Alike 3.0 Unported License

 Simple script to demonstrate how to iterate over entries in a MDL SD file and calculate some molecular property.

Rating: 0.0 / 5 (0 ratings) | Versions: 1 | Reviews: 0 | Comments: 0 | Citations: 0

Viewed: 20 times | Downloaded: 20 times

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