Daylight Worksheet - Using Thorfilters and Sthorman ...SHOW HINTS

Thorfilters provide a command line interface to the thor and merlin servers. Shell scripts of thorfilter commands are highly useful for database administration (this will be covered in day 2). These exercises will introduce you to thorfilter commands and interfacing with Daylight databases without an XView interface.

Task: Lookup the clogp and cmr value for dopamine(NCCc1ccc(O)c(O)c1) and create a postscript file which displays the output with structural depictions and TDT data.

• Verify that the thor server is running

  thorping servername

• Find all available databases which the thorserver has access to.

  thorls servername

• Find the available options for thorlookup and thorlist

  thorlookup
thorlist

• Lookup the datatypes for clogp and cmr in the medchem00_datatypes database

  thorlist -SECURE_PASSWORDS FALSE \
  medchem00_datatypes%@sun0:thor:thor% \
  > medchem00_datatypes.tdt

  Find the datatypes in the above tdt file that are for clogp and cmr

• Use thorlookup to output a FDT file with clogp, cmr for Dopamine

• Lookup options for treetops

  treetops -options

• Create postscript file using treetops and view with postscript viewer or print out results.

  SUN: treetops file.fdt | pageview
  SGI: treetops file.fdt | ghostview
  Linux: treetops file.fdt | ghostview
  

• Give database access to a new user with sthorman

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  support@daylight.com