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Molekel - Message forums

Discussion forums: Help

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Re: Reading GAMESS output files (*.out)
Submitted by Ugo Varetto; posted on Thursday, June 28, 2007
Hi, can you please send us the file ? (I'm assuming you are selecting the GAMESS format in the 'open file' dialog). Unfortunately bioinformatics.org does not allow attachments, you can put the file on a writable ftp directory here: ftp.cscs.ch/in/put/abc/uvaretto



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Reading GAMESS output files (*.out)
Submitted by Adam Jara; posted on Thursday, June 21, 2007
I'm having trouble loading GAMESS output files with the newest version of Molekel (5.1.1.4). The program gives me the following error message: ("I/O" Error: Cannot read *.out with OpenBabel.) Is there a certain format my GAMESS output file must take. The file I'm attempting to open is the result of a successful geometry optimization and I have not altered the file in any way. Thanks, Adam Jara
Re: Reading GAMESS output files (*.out)
Submitted by Ugo Varetto; posted on Thursday, June 28, 2007
Hi, can you please send us the file ? (I'm assuming you are selecting the GAMESS format in the 'open file' dialog). Unfortunately bioinformatics.org does not allow attachments, you can put the file on a writable ftp directory here: ftp.cscs.ch/in/put/abc/uvaretto
Re: Reading GAMESS output files (*.out)
Submitted by Duncan Wild; posted on Friday, July 06, 2007
Hi there, I am a new user of Molekel, and I am also having trouble with loading GAMESS output files. None of mine work! Did you find an answer to this previous post? I am using Molekel version 5.1.1.4 under Windows XP professional. For more info, I have been using WinGAMES which was built with the Cygwin compiler. This is not PC GAMESS. At the start I was getting an OpenBabel error, however now I get an I/O error that says "Cannot read C:/... with Molekel 4.6 read_gamess() function" Your help would be greatly appreciated, as from the outside looking in the program looks great! Thanks in advance Dr. Duncan Wild..
Re: Reading GAMESS output files (*.out)
Submitted by Duncan Wild; posted on Friday, July 06, 2007
I hope you don't mind, however I just uploaded an example of a GAMESS output file that I am trying to load. Also, more info. I have been choosing the "gam" option when trying to load the files into Molekel. Thanks again, Duncan Wild
Re: Reading GAMESS output files (*.out)
Submitted by Adam Jara; posted on Tuesday, July 24, 2007
I've uploaded the .out file to the ftp site. I've been able to successfully load the .out file with other programs such as MolPlt. Thanks, Adam Jara

 

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