Dear Fellows of the Map,
Chris Weichenberger has now compiled the 2016 Twilight-1 (small molecule ligand) data. Full data up to Jan 2017 as well as annual updates are available from the Twilight page. http://www.ruppweb.org/twilight/default.htm As always, 1. this is an automated compilation, no hand curation except identified false positives from the grand annotation in 2012. We abstain from any judgment, you need to look at the maps and consider the context. Reports of false positives are welcome. 2. If you do not install Twilight (in essence a graphical data base front end to coot) but only browse manually with XL through the tsv file, then you may need for the earlier files to sort by 'valid' first and then by 'score', because the raw data files include also stuff we do not consider 'bona fide ligands' or other invalid records. You can convert the TSV file in EXCEL into a sortable and searchable Table. https://www.cedarville.edu/help/Excel-Convert-Data-Into-an-Excel-Table 3. Peptide Twilight-2 will be released as soon as the CCP4 weekend proceedings Pt(2) are available on Acta D. 4. For CCP4 weekend proceedings part 1, go to http://journals.iucr.org/d/issues/2017/02/00/ Best regards, BR ------------------------------------------------------ Bernhard Rupp CVMO <http://www.hofkristallamt.org/> http://www.hofkristallamt.org/ <mailto:[email protected]> [email protected] +1 925 209 7429 +43 767 571 0536 ------------------------------------------------------ All models are wrong but some are useful. ------------------------------------------------------
