Hi, Charles,
After a long absence, I am trying to learn how to use XPLOR with the
python interface, instead of modifying fossil scripts from 1991. Two
questions that have come up so far (I am sure I will have more!):
1) Is there a way of importing heavy atom coordinates from an existing
crystal structure once a .psf file has been built from the same
structure (I used pdb2psf)? I don't think we want to start from scratch
with random coordinates.
2) Are there any tutorials on PSF and structure patching (we have a
metal center with bond lengths and angles known)?
Thanks in advance.
Tom Pochapsky
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