Hello, I got an error with my IboView it said "Problem with OpenGL: Error in FFrameBuffer::BlitFrom (..\src\IboView\IvGl.cpp:229)/glBlitFramebuffer(0, 0, pSrc->width(), pSrc->height(), 0, 0, this->width(), this->height(), Layers, Filter): Invalid operation (op not allowed in current state)" How do i fix this error??
I have already performed optimization of my ligand using Gaussian software and generated log, chk files. Can i open those files in these softwares for generating HUMO LUMO ? Thank you !
you run orbital files in avogadro through a gaussian input file! usually .g03 or .g09 input, openbabel is able to convert some files into a gaussian output but not orca. you might want to save a molecule from avagadro via a different 3d coordinate file (that might be easier than running an orca output through the command terminal and probably takes up less space)
how to calculate energy gap between homo and lumo
Thank you! and nice painting
Muchas gracias por este aporte. Me ayudó muchisimo en este punto.
Very nicely explained.
Thank you for the great tutorial!!1!!!!111111!!!!1111!!!!!111!!!!!!!!!!111!!!!!!!!!!!!!
Nice video,
Is it possible to do the same by using avogadro, quantum expresso and Iboview ?
Regards
thank you for the help !
thank you
Hello, I got an error with my IboView it said
"Problem with OpenGL: Error in FFrameBuffer::BlitFrom (..\src\IboView\IvGl.cpp:229)/glBlitFramebuffer(0, 0, pSrc->width(), pSrc->height(), 0, 0, this->width(), this->height(), Layers, Filter): Invalid operation (op not allowed in current state)"
How do i fix this error??
I have already performed optimization of my ligand using Gaussian software and generated log, chk files. Can i open those files in these softwares for generating HUMO LUMO ?
Thank you !
Thanks for the video. Wondering which software you are using to preview files? e.g. at 12:46
IboView
@@GoodLife-ru8di Thanks but I'm referring to the one with the blue outline. The small window to the left.
Thankyou
What software did you use to drew the first structure,i mean the one that gave you the name of the structure
chemdraw
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Can you share the pdf
Is it a DFT software?
yes
interesting.
Hi! How I can see the file in Avogadro?
you run orbital files in avogadro through a gaussian input file! usually .g03 or .g09 input, openbabel is able to convert some files into a gaussian output but not orca. you might want to save a molecule from avagadro via a different 3d coordinate file (that might be easier than running an orca output through the command terminal and probably takes up less space)
Where can I get the pdf?