cxcalc fails at wildcard - ChemAxon Forum Archive

User bfa236fdb0

12-03-2015 10:10:12

Dear support,

I am running MarvinBeans 15.3.9.0 on Academic license, Windows 7 64 bit, and recently my cxcalc function has stopped working with wildcards from a .bat file. Previously, I had code that allowed computation on 40 compounds in a subfolder in my drive. I am by no means a coding expert, but it worked. But now, it doesn't work any more and I cannot figure out why.

It stopped working in the trend that it no longer allows wildcards to use all files in a folder for calculation, rather it returns the path as error. The bat file is located in the same folder in which the output is written, and the molecular structures are stored in a subfolder called "marv files".

The code looks something like this:

@ECHO OFF

cd /d "C:\Program Files (x86)\ChemAxon\MarvinBeans\bin"

cxcalc -o "M:\Folder1\Folder11\Computed.txt" ^

name -t traditional ^

exactmass ^

etc...

"M:\Folder1\Folder11\marv files\\"*.mrv

This script worked fine until a few weeks ago. Now, executing this code causes the error:

M:\Folder1\Folder11\marv files\*.mrv (The filename, directory name, or volume label syntax is incorrect)

But, when simply changing the asterix to a real filename, it works perfect without any errors

@ECHO OFF

cd /d "C:\Program Files (x86)\ChemAxon\MarvinBeans\bin"

name -t traditional ^

exactmass ^

etc...

"M:\Folder1\Folder11\marv files\\"Benzophenone.mrv

id	Traditional Name	Exact mass	

1	benzophenone	182,07316494

Even putting the .mrv files in the cxcalc folder (the ChemAxon main directory on Program Files) and launching a .bat from that folder works fine, so it must be a pathname error somewhere that doesn't allow the plugin to read the location.

Test .mrv files in folder:
"C:\Program Files (x86)\ChemAxon\MarvinBeans\bin\2,6-Diisopropylnaphthalene.mrv"

"C:\Program Files (x86)\ChemAxon\MarvinBeans\bin\2-dodecylbenzene-1-sulfonate.mrv"

"C:\Program Files (x86)\ChemAxon\MarvinBeans\bin\2,4,5,6-tetrachloro-isophthalonitrile.mrv"
.bat file:
@ECHO OFF

cxcalc -g -o result.txt ^

name -t traditional ^

exactmass ^

*.mrv



Result:
id	Traditional Name	Exact mass

1	chlorothalonil	263,8815588

2	DIPN	212,1565006440

3	sodium 2-dodecylbenzenesulfonate	348,17351025

To conclude it works perfectly when the cxcalc is run in the same folder as the files, and then wildcards do work!

So I really don't know why this fails suddenly, as it has always worked perfectly. Is there a major overlook on my account?

Hope you can help or provide some insights on this

Kind regards,
Eelco

EDIT:

Well I found that switching the directories around gets the code to work again. Still it's not the most optimal solution and doesn't solve my mystery. Solution involved setting:

cd /d "M:\Folder1\Folder11\marv files\\"

<code>

*.mrv

But calling cxcalc from its original location (full path name).