RE: saving a trajectory as individual pdb files

From: Guanglei Cui <cuigl_at_ilion.bio.sunysb.edu>
Date: Mon 2 Apr 2001 18:23:51 -0400

use ptraj. say you want to save every other frame from a 10-frame
trajectory.

trajin <traj> 1 10 1
trajout output.pdb pdb
go

the result will be a list of pdb files with names like output.pdb.*.


-----Original Message-----
From: Jake Isaacs [mailto:rjisaa0_at_pop.uky.edu]
Sent: Monday, April 02, 2001 5:43 PM
To: AMBER list
Subject: saving a trajectory as individual pdb files



What is the best way to covert a trajectory into a series of pdb files? If
more than one program is required, does anyone have a handy script I could
modify for my purposes?

  .-. .-. .-. .-. .------------------------. .-. .-. .-. .-.
 /|||X|||\ /|||X|||\ / Jake Isaacs \ /|||X|||\ /|||X|||\
X|||/ \|||X|||/ \|||X Department of Molecular X|||/ \|||X|||/ \|||X
 `-' `-' `-' `-' \ & Cellular Biochemistry / `-' `-' `-' `-'
 .-. .-. .-. .-. / University of Kentucky \ .-. .-. .-. .-.
X|||\ /|||X|||\ /|||X 800 Rose St. X|||\ /|||X|||\ /|||X
 \|||X|||/ \|||X|||/ \ Lexington, KY 40536-0084 / \|||X|||/ \|||X|||/
  `-' `-' `-' `-' `------------------------' `-' `-' `-' `-'
Received on Mon Apr 02 2001 - 15:23:51 PDT
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