Dear AMBER users,
I hope to get help in the issue:How to get 1PLC_mod.pdb from
1PLC.pdb [TUTORIAL A1 - SECTION 1]; details are as follows:
I modified 1PLC.pdb as suggested in the TUTORIAL A1 - SECTION 1:
1] removed water 187 from the pdb file: 1PLC.pdb
2] removed all of the
connectivity data at the end of the PDB
3] change the residue name of
residue 84 from CYS to CYM
4] change both histidine residue
names (37 and 87) from HIS to HIE
In AMBER11 XLEaP Universal Editor, I use the following command:
1PLC_mod = loadpdb " 1PLC.pdb"
At the end of the editor, I got the message as
total atoms in file:1656
Leap added 341 missing atoms according to residue templates:
341 H / lone pairs
The file contained 122 atoms not in residue templates
When I command edit 1PLC.pdb, XLeaP unit editor displayed nothing.
I am not figuring out where I mess up
to get *1PLC_mod.pdb*
Thanks,
Mahendra Thapa
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Received on Tue Jan 17 2012 - 14:30:02 PST
