Dear all,
I have a couple of questions that it would be great if somebody could help me.
1. I have been trying to export an xtd file to pdb files in an automatic way using scripting and I haven't been able to do it. The reason is that the function export doesn't support the pdb extension. Is there any alternative way to do it?
2. In the past I exported some frames manually and the pdb created didn't contain multiple models. Recently, when I tried the same, they were composed of multiple models inside. I don't really want this shape of the pdb file and I don't know exactly why it is exporting like this now and not before.
3. I am trying to export the trajectory to analyze the hydrogen bonding of my system in time in other software as I don't know how to do it in Materials Studio. Is there any way to analyze number of h-bonds and donor-acceptor lengths trough all the frames of an xtd file?
Thank you very much for your time.