From owner-chemistry-!at!-ccl.net Tue Mar 13 15:23:00 2012 From: "tim hockswender timhockswender]_[gmail.com" To: CCL Subject: CCL: PCA using JMP from Amber .dat files Message-Id: <-46481-120313114716-26747-5evXSggXnibZB+3WyvNp+Q[-]server.ccl.net> X-Original-From: tim hockswender Content-Type: multipart/alternative; boundary=f46d04426e9275ef4704bb21c58d Date: Tue, 13 Mar 2012 11:47:07 -0400 MIME-Version: 1.0 Sent to CCL by: tim hockswender [timhockswender**gmail.com] --f46d04426e9275ef4704bb21c58d Content-Type: text/plain; charset=ISO-8859-1 JMP does not need column headers to import a file [open with text import with preview]; perhaps the real issue is the column delimiters. On Mon, Mar 12, 2012 at 3:32 PM, Kira A Armacost kza0004#%#auburn.edu < owner-chemistry~~ccl.net> wrote: > > Sent to CCL by: "Kira A Armacost" [kza0004=auburn.edu] > I'm trying to perform PCA using ptraj in Amber Tools from Amber 11. I've > been able to get a .dat file > with the eigenvectors and eigenvalues. I am wondering if these .dat files > can be uploaded into JMP for > further use with PCA? I'm able to upload them, but am running into an > error with jmp because there is > no headline for each column from the .dat file. > Thank you!> > > --f46d04426e9275ef4704bb21c58d Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable JMP does not need column headers to import a file [open with text import wi= th preview]; perhaps the real issue is the column delimiters.

On Mon, Mar 12, 2012 at 3:32 PM, Kira A Armacost kza00= 04#%#auburn.edu <owner-chemistry~~ccl.net> wrote:

Sent to CCL by: "Kira A Armacost" [kza0004=3Dauburn.edu]
I'm trying to perform PCA using ptraj in Amber Tools from Amber 11. I&#= 39;ve been able to get a .dat file
with the eigenvectors and eigenvalues. I am wondering if these .dat files c= an be uploaded into JMP for
further use with PCA? I'm able to upload them, but am running into an e= rror with jmp because there is
no headline for each column from the .dat file.
Thank you!



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