Re: [Chimera-users] Visualizing gaussian output files in UCSF chimera

Hi Prathvi, Just FYI, if you use our ChimeraX program and install the SEQCROW https://cxtoolshed.rbvi.ucsf.edu/apps/seqcrow plugin from the ChimeraX Toolshed https://cxtoolshed.rbvi.ucsf.edu/, then ChimeraX will be able to open/display Gaussian .log files. --Eric Eric Pettersen UCSF Computer Graphics Lab

On Jan 18, 2022, at 9:34 AM, Elaine Meng via Chimera-users wrote:

Hi Prathvi, Sorry no, Chimera does not read Gaussian log files. Here's the page listing the formats Chimera knows:

https://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/filetypes.html

For Gaussian, I only see "Gaussian formatted checkpoint" (.fchk) and "Gaussian cube grid" (.cube, .cub).

Best, Elaine ----- Elaine C. Meng, Ph.D. UCSF Chimera(X) team Department of Pharmaceutical Chemistry University of California, San Francisco

...

On Jan 18, 2022, at 4:47 AM, Prathvi Singh via Chimera-users wrote:

Hello again Elaine,

I have one more question. Is there a way to open & visualize a gaussian output file (it has extension of .log) in UCSF chimera?

I found that if you convert the .log file to .mol file using gaussian's software GAUSSVIEW, you can visualize the .mol file in chimera. However, the identity of the residues is lost; all the residues are shown as UNK. Is there a better way to do this?

Thanks again & always

-- Prathvi Singh, Research Fellow, Department of Biological Sciences & Bioengineering, Indian Institute of Technology, Kanpur-208016

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