[xcrysden] Help: my saved .xcrysden files do not open and display an error

[Gavin Abo]

Are the errors happening with the following steps in the XCrysDen GUI:


1. Select File -> Open Structure ... and click Open XCrySDen Scripting File

2. Select the .xcrysden file and click Open

3. Either error message "Error: Invalid command name: INFO" or "Error: 
Invalid command name: CRYSTAL" appears


For .xcrysden file in step 2 that gives either the INFO or CRYSTAL error 
message, when you open the .xcrysden file in a text editor do you find 
instances of INFO or CRYSTAL in the file?


It should be fine if the INFO or CRYSTAL are within the block:


set xsfStructure {


}


However, if INFO or CRYSTAL are outside that block it might lead to 
those errors.  If INFO or CRYSTAL, are outside that block, what section 
are they located within the file?


As an example, you could get the "Error: Invalid command name: INFO" if 
INFO on a line there was put in the font section:


# BEGIN: create fonts

# ---------------------------

INFO


# ---------------------------

# END: create fonts


On 11/15/2025 10:47 AM, Marisol Alcantara Ortigoza wrote:
> I have xcrysden 1.6.2 installed in my windows laptop
>
> I have created my images using .xsf files. Once the image was edited 
> and ready to present, I saved it using the "Save current state and 
> structure" and it saved an .xcryden file. However, when I try to 
> reopen some of the saved files, I get at least two types of errors:
>
> Error: Invalid command name: INFO
> Error: Invalid command name: CRYSTAL
>
> Can you please tell us what we are doing wrong o what is happening? 
> Because it does not happen all the time.
> Thank you
>
>
>
>
> /Marisol AlcántaraOrtigoza, PhD/
>
> /Assistant Professor/
>
> /Physics Department/
>
> /Tuskegee University/
>
> /1200 West Montgomery Road/
>
> /106 Chappie James/
>
> /Tuskegee Institute, AL 36088/
>
> /Office hours FA25:/*/  W  10:30-12:30 pm.  Tu,W,Th   3:00-5:00 pm /*
>
> /Appointments FA25:/*/ Tu,W,Th 2/**/:00-3:00 pm. F/**/ 4:00 - 5:00 pm /*
>
> /Email://malcantaraortigoza@tuskegee.edu/
>
> /Fax: (334)724-3917/
> /Website://_http://marisolalcantaraortigoza.info/_///
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://mailman.ijs.si/pipermail/xcrysden/attachments/20251115/0860d5b6/attachment-0001.htm>