| Generate conformers - write to file does nothing [message #984] |
Wed, 08 July 2020 21:01  |
Paul
Messages: 16
Registered: May 2019
Location: United States
|
Junior Member |
|
|
Hello,
When I try to write conformers into file, a 1KB dwar file is generated, which contains only what appear to be the file markup tags, i.e <datawarrior-fileinfo> . . . </datawarrior properties>.
Conformers are generated successfully and get a new 3D molecule view pane when "write to File" is not selected, and Max conformer count per stereoisomer is set to 1.
When Max conformer count is set to 2 or larger, a single conformer is displayed. The appropriate number of energies is given in the new Energy column, but only 1 conformer is provided.
Best Regards,
Paul
|
|
|
|
Search
Help
Members
Register
Login
Home
