Could you please explain how I can include a pKa correction library for a MarvinSketch 5.3.1 applet? I have been able to successfully obtain this correction for the desktop application version of Marvin sketch by including the pKaReg directory with the .dat files in the /ChemAxon/MarvinBean directory.
But, I am unable to do so for the applet version. Where should one place the pKaReg directory with the .dat files for the corrections to take effect? Any help is appreciated.
Copy the pKaReg directory to marvin/config/ directory, where "marvin" is the codebase directory of the applet.
Thanks for the reply.
I have placed the pKaReg directory in marvin/config (under tomcat root) and yet the corrections do not take effect.
The pKaReg directory contains a directory named OHAcpKa.dat which contains a file named 2.dat.
Would you know why this change might not be taking effect? Thanks.
Unfortunately the pKa correction library is not recognized by the applet, because of a bug. We will fix it, the fix can be expected in Marvin 5.3.8.
Thank you for your reply. I look forward to the release of the version 5.3.8.
Probably there will be no 5.3.8 release, so the fix will be released in Marvin 5.4.