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Optional Databases for Advanced Protein Modeling Tripos supplies several databases for use with FUGUET and ORCHESTRART. Enhanced protein modeling capabilities * Support for new, remediated PDB format from the RCSB. * Build terminal loops within Advanced Protein Modeling's ORCHESTRAR technology allowing a complete model to be created. Also manage cofactors, ligands, waters and metals with the ORCHESTRAR technology.
INSTALLATION Unrar, burn/mount, install. SYBYL-X must be pre-installed. Expect this installation to take 1-3 hours.
If your existing advanced protein modeling databases are in the orchestrar_db folder parallel to your SYBYL-X 1.1 installation, SYBYL-X 1.1 is automatically configured to use them.
If your existing advanced protein modeling databases are not in the orchestrar_db folder parallel to your SYBYL-X 1.1 installation, you must configure SYBYL-X 1.1. To do so use a text editor, such as Notepad++. Do not use WordPad or Notepad distributed with Windows.
A. In your SYBYL-X 1.1 installation open the folder containing the files that must be modified. If you installed SYBYL in the default location this will be: C:tripossybylx1.1lib
B. Near the top of the ta_site.sh and ta_site.csh files insert the following line after the first commented lines, replacing"" with the path to the folder containing your existing advanced protein modeling databases. in ta_site.sh export TA_ORCHESTRAR_DB= in ta_site.csh setenv TA_ORCHESTRAR_DB Locked in a gravitational spin
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