When I used the Crystal 17 to calculate the vibration frequency of IR, it's available and the output files can be read by Moldraw. However, if I type the keywords "INTRAMAN" and "INTCPHF" for Raman calculations, the output file can't be read by Moldraw.
A window showed "Errors in LeggeFre_Cry" and "Input past end of file". Can you help me?
Answer by
Stephen Prastman
You should get in touch with the developers of moldraw because it's not publicly available for normal users. It can be used in universities, by teachers, students, etc.
Access the following link to reach the website where its contact details are stored, then you can forward your request to him.
I have created a .com file as an input. I ran an oniom calculation on Gaussview and created a .log file as an output. In order to use the Crystal method I am using Moldraw. I tried to import my .log file, but it doesn't seem to work and shows an error. The .log file ran perfectly fine and converged. Can you help me?
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Answer by
Dan Angel
Firstly, make sure that you're trying to open a .log file in Moldraw. Right-click the file you want to import, select Properties, open the General tab and check the information next to the Type of file. If it is a .log file, upgrade the Moldraw software to the latest version. After that, launch the utility, click Import and from the drop-down list next to File name select the first option:
Click to view
Select the .log file and then press Open. If the issue persists, use [email protected] email address to get in touch with the support team.
Yes, Moldraw is a program that is good for drawing chemical structures. As for the pricing, Moldraw offers a free version.
When I used the Crystal 17 to calculate the vibration frequency of IR, it's available and the output files can be read by Moldraw. However, if I type the keywords "INTRAMAN" and "INTCPHF" for Raman calculations, the output file can't be read by Moldraw.
A window showed "Errors in LeggeFre_Cry" and "Input past end of file". Can you help me?
You should get in touch with the developers of moldraw because it's not publicly available for normal users. It can be used in universities, by teachers, students, etc.
Access the following link to reach the website where its contact details are stored, then you can forward your request to him.
I have created a .com file as an input. I ran an oniom calculation on Gaussview and created a .log file as an output. In order to use the Crystal method I am using Moldraw. I tried to import my .log file, but it doesn't seem to work and shows an error. The .log file ran perfectly fine and converged. Can you help me?
Firstly, make sure that you're trying to open a .log file in Moldraw. Right-click the file you want to import, select Properties, open the General tab and check the information next to the Type of file. If it is a .log file, upgrade the Moldraw software to the latest version. After that, launch the utility, click Import and from the drop-down list next to File name select the first option:
Click to viewSelect the .log file and then press Open. If the issue persists, use [email protected] email address to get in touch with the support team.