User fa9047b33c
28-01-2016 00:04:11
Is there a way to output the results from a cxcalc plugin with decimal separator '.' instead of ','? specifically from MASS and LOGP.
Thank you for your help
Miguel
User fa9047b33c
28-01-2016 00:04:11
Is there a way to output the results from a cxcalc plugin with decimal separator '.' instead of ','? specifically from MASS and LOGP.
Thank you for your help
Miguel
ChemAxon d51151248d
28-01-2016 14:18:14
Hi Miguel,
The separator applied depends on your number formatting set in the operating system settings. In Windows you can change this in the Change the date, time, or number format > Additional settings window.
I hope this helps.
Daniel
User fa9047b33c
28-01-2016 14:30:55
Hi Daniel thanks for your answer. My decimal separator is dot and Not comma. But it was comma when i installed the software. Could that be the reason?
Thanks
KR
Miguel
ChemAxon d51151248d
02-02-2016 10:03:18
Hi,
No, the software installation should not alter the system separator settings. If you have Windows operating system running on your machine, you can modify the formatting settings in the Region and Language window.
Daniel
User fa9047b33c
02-02-2016 10:11:40
Dear Daniel
I already did but still the problem persists. It still outputs comma instead of dot. My regional preferences are set correctly. Is there any other option On the chemaxon suite where that's an option?
Thanks
Best
ChemAxon d51151248d
03-02-2016 12:51:14
Hi,
No, there's no such option as setting separators are totally dependent on your operating system and should be done on your local machine. I could easily change the separators in my Win system as I described above, so I can't give you new ideas. Maybe you could share your system info.
Daniel
ChemAxon d51151248d
04-02-2016 10:09:42
Hi again,
Can you send us which version of cxcalc you use, and how? What type of shell command line tool do you use?
Thanks,
Daniel
User fa9047b33c
07-02-2016 16:31:22
Dear Daniel,
Thank you for your help so far and sorry for the delayed answer. I attach a printscreen with my regional settings and another with cxcalc version.
The shell command was
cxcalc D:\path\file.sdf -S -v acceptorcount -e false | cxcalc -S -v donorcount | cxcalc -S -v mass | cxcalc -o D:\path\test.sdf -S -v logp
the last screenshot has the output of these 4 fields - I just re-ran it after taking the printscreen of the regional settings and cxcalc version so nothing has changed on that regard.
Thank you
Best
Miguel
ChemAxon d51151248d
11-02-2016 12:21:32
Hi Miguel,
I'm sorry but I can't give you more help on this issue. I tested it on the version you use and it works for me. I can easily change the separator through the settings window. What I can suggest is to update to the latest release of the cxcalc. However, this is not be the cause of your problem.
Daniel
User fa9047b33c
11-02-2016 12:57:50
Thank you for your efforts Daniel. I have found a way to work around it. My problem was that On importing to instant J chem it would Not recognize the numbers properly, so im doing a series of importing as text, exporting and processing with a statistics package to standardize it.
Thanks
Best
Miguel