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Converting coarse grained model of material studio into xyz format

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Topic starter
(@caosondo)
New Member
Joined: 11 years ago

Hi,

I have successfully built a coarse grained model of polyethylene in Materials Studio software using build polymer and coarse grain option in build mesostructure. At first I created the repeat unit then homopolymer and then used the coarse grain option in build meso structure. It is showing the beads. But I cant export the xyz coordinate of the coarse grained model. Normally, after building full atom model, i build crystal and export as SHELX files (*.res,*.ins). And get the coordinate from that file. But this thing is not working here. Theres no coordinate in the file. It has just the title Title polyethylene CELL 0.000 10.000 10.000 10.000 90.000 90.000 90.000 LATT-1 END. I have also tried to export as .pdb file but still there are no atom coordinates. Can you please help me how can I get the beads coordinate of the coarse grained model of Materials studio for using in LAMMPS?

Thanks

Salah

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