Hi all,
Suppose I have a molecule and the atoms in this molecule have been grouped together as a subunit. I then proceed to replicate this molecule in a unit cell box such that
--------------------------------------
| subunit1 subunit2 |
| |
| subunit3 subunit4 |
| |
| subunit5 subunit6 |
| |
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Is there any way to get Materials Studio to export all the coordinates of the atoms in subunit1 followed by subunit2 and then subunit3 and etc in a .pdb file? Currently it seems like the way Materials Studio is exporting the coordinates of the subunits can be a bit haphazard - for instance, subunit3, subunit4, subunit5, subunit6....?
Thanks!