Update to v1.17.0 (Trunk only)

As previously mentioned (see SDF Writer US-ASCII charset limit for background), we have updated the nightly build to v1.17.0, which adds a new ‘Load SD-Files (SDF) node. This node allows selection of the character set (or automatic guessing as for previous Load … nodes), and also newline behaviour in the output:

image image image

In addition to outputting the file content as a column of SDF cells, the node attempts to parse the header, subject to the following caveats:

  1. Many sdf writers do not follow the original header format, particularly for the 2nd line of the header block, in which case, the output of the parsing is likely to be nonsense (but it shouldn’t cause node execution to fail)
  2. The counts line will return 0s for atom and bond counts in a V3000 molblock, as this information is stored in a special M V30 COUNTS ... record

Steve