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How to add residues at the c-terminal ?
#16339 11/24/07 05:58 AM
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every great person,
I got the PDB data from Protein Data Bank, but there are 2 residues missed coordinat data, so I have to add these 2 residues data. How can I do?
Thanks very much!

Re: How to add residues at the c-terminal ?
EcoliSCU #16340 11/24/07 04:28 PM
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rmv Online Content
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Use the SEQRES info from the PDB file to declare the full sequence (via READ SEQU) in the PSF; be sure to use the SETUP keyword with GENErate. Then use internal coordinates (intcor.doc) to build Cartesian coords for the missing residues--

IC PURGE ! cleanup ic table
IC PARAM ! get any missing bond and angle values from params
IC FILL PRESERVE ! update IC values based on known coords
IC BUILD ! place missing coords

The backbone torsions for the missing residues will be ca. 180 deg.

(This post probably belongs in the "Setup" forum, since it is not a direct question about one of the posted example scripts.)

Last edited by rmv; 11/24/07 06:18 PM.
Re: How to add residues at the c-terminal ?
rmv #16341 11/27/07 06:06 AM
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Thanks Very much!


Moderated by  lennart, rmv 

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