MarvinSketch: How to access the command line

Hello,

in the user's guide they talk several times of a command line to execute the molconverter or to do the trainig with the predictor plugin. Sadly, I'm not abel to get this command line. What do I need to do? I can just open the normal MarvinSketch window.

Best regards,

Andreas

Hi Andreas,

you should start the Windows command line, and use the molconvert.bat script, or the cxcalc.bat script that is intalled in the MARVIN_INSTALLATION_DIR/bin folder. (MARVIN_INSTALLATION_DIR is by default the Program Files (x86)/ChemAxon/MarvinBeans). To access the Windows command line, you should open the start menu, and type cmd into the run textbox, then press enter. After the cmd window pops up you should navigate to the MARVIN_INSTALLATION_DIR/bin folder, or add this folder to the PATH environment variable, and type the name of the script you want to use.

If you are not a Windows user, then you should use the scripts without the .bat extension, and a terminal application, or the bash shell for example.

I hope this helps.

Regards,
Istvan

Hello,

thanks a lot for the answer.

However I have a new question. When trying to use the molconverter to get all common names of a substance, the command line just says: all: not found       If I just want to have the most common name it works without problems. I tried different substances but it never worked. Do I make a mistake? My command line is:

C:\Programme\ChemAxon\MarvinBeans\bin\molconvert.bat  name:common,all -s tylenol.

 

Best regards,

Andreas

Hi Andreas,

We have moved your training set related question to the "Structure based predictions: Calculation Plugins & Chemical Terms" forum:
https://www.chemaxon.com/forum/viewtopic.php?t=8191&amp%3bstart=0 />One of my colleagues will answer your question soon.

Regards,
Erika

Hi Andreas,

 

We are sorry for the late answer, please try to add the  the double qoutes:

molconvert.bat  "name:common,all" -s tylenol

I hope this helps.

 

Regards,

Erika