| Re: Suggestion: add molecular weight calculation for individual compound [message #2464 is a reply to message #2463] |
Fri, 30 January 2026 20:22  |
nbehrnd
Messages: 240
Registered: June 2019
|
Senior Member |
|
|
Hello Thomas
Based on Laurent's question about an explicit run to update values, I notice this does not affect _every_ value assigned by DW. As an example, while replacing benzene by triazene, for instance, I expected the "re-calculate every value, if necessary" equally would replace SMILES and InChI string, too -- which however is not the case. However, only the calculated molecular weight, and the user defined `molecular weight, rounded to two decimals) changed accordingly.
Best regards,
Norwid
|
|
|
|
Search
Help
Members
Register
Login
Home
