NMR-SHARC : history


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NMR-SHARC LOGO LINE -------------------
This is the story of the NMR-SHARC format/archive

Once upon a time there was a Ph.D. student who was annoyed by searching for NMR-data-fishes in the sea of output lines....

Therefore writing of skripts for extracting ab inito NMR data from outputs of various programs began.

1994

1994, Sep. The first skript (CSH), SHIGO, to retrieve SHIGO format data from an ordered collection.

1995

1995, Mar. The concept of SHared ARChiving was set up and tested.

21th May 1995: first NMR-SHARC MIME specification

1995, Aug. Additional modules enable the CACTVS browser (with a POSTGRESS based archive) to archive NMR-SHARC format data

1996

1996, Feb. Transforming magnetic shielding to chemical shifts requires shieldings of NMR reference data. A set of 42 ab inito NMR reference values for TMS, CFCl3, and PH3 was presented online.

1997

1997, Jan. The mini browser (PERL,CGI) skript enabled online retrieval (via INTERNET) of public NMR-SHARC data.

1997, Apr. The SHARCID is introduced and replaces the inflexible SHARCNR.

1998

25th Jan 1998: current version 2.0 of NMR-SHARC MIME

1998, May The central computer of the CCC, on which NMR-SHARC was operating, was replaced (convex c220 by as1200) - and many things had to be adjusted, rewritten, etc.

1998-06-01 Basic service again available

1998-07-01 Supplementary Material service available

1998-09-30 First public MacSHARCivar Version (0.4.1).

1999

Development of notation for archiving VMF data (zero-point vibration corrections by VibrationModeFollowing) in NMR-SHARC MIME framework

2004

Publication of the VibrationModeFollowing applied for modeling Isotope effects on nuclear magnetic shieldings

2007

SHARCivar 0.7 (2007-01-09 = alpha) supporting export in SDF format in two modifications: I. general visualiser, II. SciDex(®) visualisation and evaluation tool on WinDows

2012

SHARCivar 0.7.5 (2012-08-06, X5Def) support of plugging XML-wrapped SDF into NMR-SHARC format entries (incl. enable selectable, multiple display forms of molecular geometry of one entry). NMR-SHARC LOGO LINE ------------------- Back to the NMR-SHARC homepage
Last Update 0.2 2012-10-14 By Alk Dransfeld