Multiple entries in .name

User caa81a742d

04-03-2011 16:14:07

Hi,


This query relates to File > Open > test.name in Marvin 5.4.1.1, where the file comprises 3 lines:


methane
ethane
benzene


The 'Molecule records to load' box identifies the 3 molecules, each of which is displayed correctly in Preview.  Any single molecule can be loaded, but trying to load, e.g., 1-3 returns an empty display.


Thanks in anticipation of assistance


Norman

ChemAxon e7b9408ca1

04-03-2011 16:27:46

Hi,


I cannot reproduce this problem. Also, this does not sound like something specific to naming, so I will move the topic accordingly. But if you could please attach the sample files you use, and try with another format, that would confirm if the problem is specific to names or not. For instance a file with smiles:


C
CC

CCC


User caa81a742d

04-03-2011 19:03:25

Many thanks for prompt response, redirection & suggestion.  In the attached, only .name gives me the previously described problem - .mol2 & .smiles deliver the expected 3-molecule display.

ChemAxon e7b9408ca1

04-03-2011 19:23:08

I just realize: do you have the license for name to structure? See: http://www.chemaxon.com/free-software/academic-package/


I will make sure a proper message is displayed in this case.

User caa81a742d

04-03-2011 20:18:32

Makes sense.


With thanks, Norman

User caa81a742d

05-03-2011 20:43:09

Just to confirm, full functionality has now been achieved by adding in the Name to Structure license, where previously I was using only Discovery Toolkit.


With thanks once again for prompt clarification,


Norman