I am using Ubuntu 18. I am facing trouble to save images of molecules and MO. I have made the HOMO and the LUMO of molecules from .cub files. Please answer.
I got a reply from Gaussian help about the same issue previously as below:
"This description suggests that there is a problem between GaussView and the OpenGL driver in the more recent Ubuntu. We do deliver a software only version of OpenGL, MesaGL, as part of the distribution. So try
gv -soft
to start GaussView with the MesaGL.
I will note that saving images is a commonly broken issue because it is performed by generating the image in an off screen buffer and then saving that to disk to avoid limitations due to screen resolution. This is not something which other products which rely on OpenGL need, i.e. video games, so it does not get much testing from the vendors.
So you might find that there is an update from the graphics adapter vendor or even Ubuntu which can address this. It may also be possible to downgrade the driver similar to what we do with MesaGL but using MesaGL should let you get the images you need and if you need more performance from the vendor hardware accelerated driver for other functions use the default mode for gv."
Soumyadip Ray I had also faced similar issue with Ubuntu+GV. If this is not solved yet, there is the alternative by plotting them with VMD. If you need, I might send you a small script.
Otherwise, use GV with windows. Or you may install WINE followed by GV(W) in Ubuntu. This is pretty straight forward.
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vmdrestoremymaterials
# Atom selection macros
atomselect macro at {resname ADE A THY T
}
atomselect macro acidic {resname ASP GLU
}
atomselect macro cyclic {resname HIS PHE PRO TRP TYR
}
atomselect macro acyclic {protein and not cyclic
}
atomselect macro aliphatic {resname ALA GLY ILE LEU VAL
}
atomselect macro alpha {protein and name CA
}
atomselect macro amino {protein
}
atomselect macro aromatic {resname HIS PHE TRP TYR
}
atomselect macro basic {resname ARG HIS LYS HSP
}
atomselect macro bonded {numbonds > 0
}
atomselect macro buried {resname ALA LEU VAL ILE PHE CYS MET TRP
}
atomselect macro cg {resname CYT C GUA G
}
atomselect macro charged {basic or acidic
}
atomselect macro hetero {not (protein or nucleic)
}
atomselect macro hydrophobic {resname ALA LEU VAL ILE PRO PHE MET TRP
}
atomselect macro small {resname ALA GLY SER
}
atomselect macro medium {resname VAL THR ASP ASN PRO CYS ASX PCA HYP
}
atomselect macro large {protein and not (small or medium)
}
atomselect macro neutral {resname VAL PHE GLN TYR HIS CYS MET TRP ASX GLX PCA HYP
}
atomselect macro polar {protein and not hydrophobic
}
atomselect macro purine {resname ADE A GUA G
}
atomselect macro pyrimidine {resname CYT C THY T URA U
}
atomselect macro surface {protein and not buried
}
atomselect macro lipid {resname DLPE DMPC DPPC GPC LPPC PALM PC PGCL POPC POPE
}
atomselect macro lipids {lipid
}
atomselect macro ion {resname AL BA CA CAL CD CES CLA CL CO CS CU CU1 CUA HG IN IOD K LIT MG MN3 MO3 MO4 MO5 MO6 NA NAW OC7 PB POT PT RB SOD TB TL WO4 YB ZN ZN1 ZN2
}
atomselect macro ions {ion
}
atomselect macro sugar {resname AGLC
}
atomselect macro solvent {not (protein or sugar or nucleic or lipid)
}
atomselect macro glycan {resname NAG BGLN FUC AFUC MAN AMAN BMA BMAN
}
atomselect macro carbon {name "C.*" and not ion
}
atomselect macro hydrogen {name "[0-9]?H.*"
}
atomselect macro nitrogen {name "N.*"
}
atomselect macro oxygen {name "O.*"
}
atomselect macro sulfur {name "S.*" and not ion
}
atomselect macro noh {not hydrogen
}
atomselect macro heme {resname HEM HEME
}
atomselect macro conformationall {altloc ""
}
atomselect macro conformationA {altloc "" or altloc "A"
}
atomselect macro conformationB {altloc "" or altloc "B"
}
atomselect macro conformationC {altloc "" or altloc "C"
}
atomselect macro conformationD {altloc "" or altloc "D"
}
atomselect macro conformationE {altloc "" or altloc "E"
}
atomselect macro conformationF {altloc "" or altloc "F"
}
atomselect macro drude {type DRUD or type LP
}
atomselect macro unparametrized beta save visualization state.
this way, you can plot things without doing repeative works on vmd.