The error in my fix3.pdb was residue number 1802 instead of 1082 in the manually edited line for HD1. Here’s reallyfixed3.pdb where the His1082 hydrogens are connected. Elaine
On Jul 11, 2017, at 4:46 PM, Elaine Meng <meng@cgl.ucsf.edu> wrote:
On the other hand, now the sidechain hydrogens of HIS 1082 are mysteriously detached in fix3.pdb but not fix2.pdb.
We may be trying to stretch the functionality of Morph Conformations farther than it wants to go… as mentioned earlier, it is primarily for morphing the biopolymer chains. Some extensions were made to accommodate ligands, but as you can see, they only go so far.
Elaine
On Jul 11, 2017, at 4:36 PM, Elaine Meng <meng@cgl.ucsf.edu> wrote:
seem to have all the problems fixed except not including the PO4 in the morph. I leave any further fixing to you.
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