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

[Marisol Alcantara Ortigoza]

Thanks a lot,
We deleted the files but we will check if the file has "INFO" or "CRYSTAL" outside the right block
Thanks so much


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 at tuskegee.edu

Fax: (334)724-3917
Website:http://marisolalcantaraortigoza.info/

________________________________
From: XCrySDen <xcrysden-bounces at ijs.si> on behalf of Gavin Abo <gabo13279 at gmail.com>
Sent: Saturday, November 15, 2025 1:31 PM
To: xcrysden at ijs.si <xcrysden at ijs.si>
Subject: Re: [xcrysden] Help: my saved .xcrysden files do not open and display an error

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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 at tuskegee.edu<mailto:malcantaraortigoza at tuskegee.edu>

Fax: (334)724-3917
Website:http://marisolalcantaraortigoza.info/<https://urldefense.com/v3/__http://marisolalcantaraortigoza.info/__;!!Pe9-MuB9P6Cr!X8g-9bygUYH4HlptguBvSoUQJR12EPfv_R-0Sc402ffOC9sg_ebGcMUi0OZBRR9rbdwRA4urphJN514xjCI-J9LsUTLzCw$>



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