Re: Questions about xleap ...

From: Bill Ross <photoriot_at_yahoo.com>
Date: Tue 23 Jul 2002 12:03:52 -0700 (PDT)

ATOM 58755 H1 WAT 11781 -27.405 -11.267
1.246 1.00 0.00
ATOM 58756 H2 WAT 11781 -28.687 -12.065
1.345 1.00 0.00
ATOM 58757 O WAT 11781 -28.109 -11.495
1.852 1.00 0.00
TER 58758 WAT 11781
ATOM 58759 H1 WAT 11782 -40.978 40.873
8.086 1.00 0.00
ATOM 58760 H2 WAT 11782 -39.662 40.129
8.164 1.00 0.00
ATOM 58761 O WAT 11782 -40.320 40.440
7.542 1.00 0.00

Leap's problem with finding 10 H1's in a residue is
probably because the last digit of the residue number
is not being read. If you shift the numbers to the
left by 1 char (adding a space after the shifted #
to compensate), it might well work, at least in leap7.

Bill Ross

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Received on Tue Jul 23 2002 - 12:03:52 PDT
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