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Gaussview 6 Linux Download3/28/2021
Good luck Cite Can you help by adding an answer Answer Add your answer Similar questions and discussions How to extract coordination data from Gaussian09 output file Question 8 answers Asked 23rd Jun, 2016 Liangzhen Zheng Hi all, I need to extract the optimized geometry data to make a mol2 or PDB file.Could somebody suggest me such kind of viewer editor Thank you in advance.Gauss Gaussian Filing Share Facebook Twitter LinkedIn Reddit Most recent answer 24th Jan, 2019 Jess Francisco Monzn-Bensojo Prasanta Bandyopadhyay, Thank you very much, all I needed was installing Notepad and then opening the file.
![]() Cite All Answers (10) 23rd Jan, 2019 Sergey Nikitin University of Copenhagen Hi Jesus, That is somewhat wierd that the GaussView cannot open the. ![]() Anyway, try this software Regards, SERGEY Cite 1 Recommendation 23rd Jan, 2019 Rubn Laplaza Sorbonne Universit Hello there, I would try AVOGADRO, which is quite remarkably multifunctional and has a Gaussian extension. Gaussview 6 Linux Free And OpenIt has many other advantages, among which I count being free and open source. Find it in: Cite 1 Recommendation 23rd Jan, 2019 Jess Francisco Monzn-Bensojo Thanks Sergey, I downloaded the software and it opened the file, but there is no way of getting the text file that Gaussian generates. This text file contains all the information of the run (say geometrical information and additional information). Gaussview 6 Linux Trial Lasts ForAnyway, the softwares trial lasts for 5 months, I had already used this software before and it is very useful to manipulate molecules. Avogadro is a very powerful software but, I cant open the text file of my 181 MB.log file in order to extract all the information of the run. Cite 23rd Jan, 2019 Rubn Laplaza Sorbonne Universit Anyway, whatever you need to extract from the logfile you can possibly do by using simple scripting. You can use simple piping such as: grep E(SCF) output.log tail -n 1 tr -s cut -d -f 2 or things like that. ![]() Cite 23rd Jan, 2019 Jess Francisco Monzn-Bensojo Hey Rubn, once a Gaussian run has finished, all I have to do in order to get the full text is pressing the view file button. I had never had the need to do something else until I obtained a file larger than 100 MB. Whats scripting and piping While I learn scripting, is there a plain way to obtain the full text I retrieved by means of the view file button, or would I need a set of complex tools to get the full text I need Thanks Rubn in advance. I usually accessed the total energy value of the calculation from the full text I am talking about; nevertheless, this value is accessible via resultssummary; so, I would not need the full report. It is plainly simplistic because the full text report contains tons of very,very valuable information besides a single punctual datum like total energy. Cite 24th Jan, 2019 Prasanta Bandyopadhyay Visva Bharati University To view the file in text mode, you can try Notepad on windows, very powerful it is. Cite 24th Jan, 2019 Dmitry Sharapa Most valuable info is in archive block (final energy, description of method and basis set, final geometry, symmetry, in case of freq calculation also NImag and all vibration). However i would recommend always to have a look on structure in viewer (may be except of singlepoints) to be sure that nothing wrong happens with the structure. I personally use Chemcraft, Notepad and vi, but Avogadro and Gabedit also very nice tools. Cite 24th Jan, 2019 Arup Sarkar Indian Institute of Technology Bombay Chemcraft, Schrodinger, Avogadro you can try. Cite 24th Jan, 2019 Rubn Laplaza Sorbonne Universit As it seems that you are not familiar with scripting and so on, I would recommend, following recent answers, that you use Notepad (or any similar software) to open the log file and use the search function of Notepad to navigate the large amount of information.
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