Update ABS configuration to OR1 Configuration

Partner Extensions
1

Hi,

We are looking for a solution to change a stereocenter configuration from ABS to OR1. Can you please suggest a solution to accomplish this?

-Shiva

2

Hi Shiva,
Custom transforms for converting stereo configurations can be created within the Standardizer node. Such Transform actions should be used with a great deal of caution, as the stereochemical integrity of your data is at risk. We have created a demo transformation that converts ABS labels to OR labels, but have only done limited testing of it. As such, I am reluctant to post it here, but I will send it to you through other channels.
Best,

Tim

3

This topic was automatically closed 90 days after the last reply. New replies are no longer allowed.