7 Matching Annotations
  1. Feb 2017
    1. Macintosh Viewer last updated on: Monday, 13-Feb-2017 09:43:00 CST; size: 8.3M bytes Download the Macintosh Jcamp Viewer. Windows viewer last updated on: Monday, 13-Feb-2017 09:43:25 CST; size: 4.1M bytes Download the Windows Jcamp Viewer. Linux viewer last updated on: Wednesday, 02-Mar-2016 13:05:33 CST; size: 12M bytes Download the Linux Jcamp Viewer. This version of the viewer has the capability to directly download and process raw FID data files from the UWSP data server. Some very brief documentation on the data processing capabilities is available here. JCAMP-DX spectral files are best displayed using the JCAMP viewer as the Chime plugin(Windows only) seems unable to display spectra with a large number of data points in an AFFN JCAMP data file.

      Is there any other way to see JCAMP data files without having to download any of this?

    1. GENSAL (GENeric Structure LAnguage

      Why GENSAL and not GENSLA?

    2. Note that aromaticity is not a measurable physical quantity, but a concept without a unanimous mathematical definition.  As a result, different aromaticity detection algorithms often disagree with each other on whether a given molecule is aromatic or not, making it difficult to interchange information between databases that use different aromaticity detection algorithms for SMILES generation

      Do any of the aromaticity detection algorithms employ Huckel's Rule (4n+2pi electron rule) for predicting aromaticity?

    3. ASCII

      What does ASCII stand for?

    1. An InChI Keycan also be generated for a compound. This is completely separate from the InChI linear notation, and is used to provide an identifier for a compound that is particularly suitable for use in Web search engine

      Does this mean that a regular InChI cannot be used in Web search engines?

    2. Systematic name

      Is there a way to update this definition on wikipedia or somehow make the definition more accessible via a search engine? I struggled to find a legitimate, consistent definition for a related assignment in my cheminformatics class. I wish I had seen this sooner.

    1. It is termed redundant because each connection isdescribed twice. The redundancy is removed whena unique version of the table is stored.

      Forgive me, but I am confused as to how each connection is described twice? It appears as though there are three columns with the same heading (Bond order and Attached atom number). Would anyone mind clarifying?