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Topic Title: Spotfire - LogP calculation fails
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Created On: 10/14/2014 5:35 AM
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 10/14/2014 5:35 AM
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Posts: 1
Joined: 10/14/2014

I try to add a calculation column in Spotfire with Lead Discovery.

Most of the chemical properties calculations work, but LogP and PKa, among others make the Calculation hang, with the following error (translated from french) :

Unable to start cscalc.exe properly

The error code is 0xc0000005

I tried with very simple molecules (like CH4), with the same result.

Can you help me with that ?

 5/5/2016 2:47 AM
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Posts: 41
Joined: 7/11/2011

Please consider to always put the versions of the products your are using.

Instead of inserting this properties as a calculated column, try to insert them by doing the following:

1. Right click on one of our structures and select "Insert Chemical Properties"
2. From the new window, select the proper structure column from the dropdown menu.
3. Check the boxes of the Chemical properties you would like to see.

You can insert chemical properties, based on a selected structure column, into the data table as new columns. This provides a quick interface for you to generate multiple chemical
property columns simultaneously.

In this case, the calculations are performed via custom Data Function(s). The column type of the new chemical property column inserted is Result type.

I hope you find this information useful.

Best regards,

Aldo Sánchez | Customer Support – Informatics
PerkinElmer Inc. | For the Better

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