Subject: Postdoctoral position: Computational crystallography
From: rick@omni.cc.purdue.edu (Rick Millane)
Date: 11 Dec 1996 22:17:15 GMT
POSTDOCTORAL POSITION
COMPUTATIONAL CRYSTALLOGRAPHY
Purdue University
Whistler Center for Carbohydrate Research and
Computational Science and Engineering Program
West Lafayette, IN 47907-1160
Attention: Dr. R.P. Millane
A postdoctoral position is available at Purdue University on
projects concerned with the development of new computational
algorithms for macromolecular crystallography. The primary
current interest is in the development of new electron
density modification algorithms for protein crystallography.
Applicants should have a Ph.D. and experience in
computational methods in x-ray crystallography, or in a related
field. Experience with C programming, Unix and protein
crystallography is desirable.
Send cv, a summary of research experience and interests,
and the names of three referees to Dr. Rick Millane, Whistler Center
for Carbohydrate Research, and Computational Science and Engineering
Program, Purdue University, West Lafayette, IN 47907-1160,
tel. 317-494-9272, fax. 317-494-7953, rmillane@purdue.edu.
Subject: Re: a decent win95 sci calculator?
From: "J. Clarke"
Date: 11 Dec 1996 23:07:45 GMT
Eric,
On the Windows calculator (the one that comes with Windows and has come
with every version I can remember), click "view" and you'll see a drop down
menu with options "Standard" and "Scientific". Select "Scientific". The
one which comes with Windows 95 has sin, cos, tan, log, ln, factorial, the
hyperbolics and the inverses, among other things. Also converts between
decimal, binary, hex, and octal, performs logicals (and, or, xor, etc),
and some statistical functions.
I tried your examples, and got 13 for 3+5*2 when "Scientific" was selected,
but 16 when "Standard" was selected. And when "Scientific" is selected, you
_do_ have parentheses.
--John
Subject: Re: a decent win95 sci calculator?
From: Gerald McMullon
Date: Thu, 12 Dec 1996 00:53:58 +0000
If anyone is interested I wrote a calculator as an excerise in VB.
Details below.
If more functions are required they can be added in. It is basically
standard
algebraic - not reverse polish and takes user defined formulae. It
appears as
an on-top edit box of about 40 characters (scrollable) with secondary
windows
to display memory and formulae (can be scrolled within the edit box) and
previous
calculations.
Down load from
http://web.ukonline.co.uk/Members/gerald.mcmullon/reports.htm
Basic Arithmetic
================
Four rules of arithmetic +,-,*,/, brackets () and raising to a power ^,
e.g. x^y.
Examples
23+(45.567-56.3/7.99)/6.2,3.14^(1+1/13)
Results
29.213015 standard display
17.15109 standard display
Square root of a number
Example
sqr(2)+sqr(3)
Results
3.146264
Multiple expressions and formulae can be entered, separated by a comma.
Constant
=========
pi ~ 3.14159265358979
Standard Functions
==================
integer part int()
square root sqr()
natural exponential exp()
logarithm log()
Trigonometric functions
sine sin()
cosine cos()
tangent tan()
secant sec()
cosecant cosec()
cotangent cotan()
Inverse trigonometric functions
sin-1() arcsin()
cos-1() arccos()
tan-1() arctan()
sec-1() arcsec()
cosec-1() arccosec()
cotan-1() arccotan()
Hyperbolic functions
sine sinh()
cosine cosh()
tangent tanh()
Inverse hyperbolic functions
sinh-1() arcsinh()
cosh-1() arccosh()
tanh-1() arctanh()
Examples
sqr(40^2-4*5*17),m5,arctan((40-r5)/10),arctan((40+r5)/10)
sqr(549),arcsin(12*sin(120)/p)
Field format
The format is a field of 12 with 6 decimal places. To change format
use f,.
Example
f10,5
Angle Measurement
Initially set to degrees, d toggles between degrees and radians.
Memory storage
Memory m0,..,m9 stores the last value calculated or entered. Memory
Recall is r0,..,r9. List memory contents with ml. The contents of
memory can be edited from the Memory and functions form.
Example
12*(43+27+45.7)/1.175,m0
stores the result in memory 0.
r0*1.1
recalls from memory 0 and increases it by 10%.
Use previous result p=p0,..,p9. List the previous results with pl. The
previous queries are recalled with q0,..,q9.
Scroll through previous expressions using Ctrl+E and Ctrl+X. When they
are in the calculator's window they can be edited. Previous expressions
can not be changed on the Previous Results form.
User defined functions
Functions can be stored by assigning
yi=function where i=0,..,9
and called by entering y0,..,y9.
Alternatively functions can be entered from the Memory and functions
forms (obtained by entering ml).
Example 1
Compound Interest
y1=r0*(1+r1/100)^r2
calculates the amount where r0=principal, r1=rate %,r2 = time in years.
e.g.
5500,m0,21.4,m1,5,m2,y1
Example 2
Monthly mortgage repayment
70000,m0,7.99,m1,300,m2,y3=(1+r1/1200),y3,y4=r0*(r3)^r2*(r3-1)/((r3)^r2-1),y3,m3,y4
where r0=mortgage, r1=rate %, r2=time in months, r3 is an intermediate
calculation. 70000 is stored in memory 0, 7.99 % in memory 1, 300 months
(25 years) in memory 2, the intermediate formula of the amount with one
month's interest as y3 and the formula r0*(r3)^r2*(r3-1)/((r3)^r2-1 as
y4. To find the value the intermediate value is calculated (y3,m3) and
stored in memory 3. The monthly repayment is then obtained (y4).
Changing the contents of m0 and executing the formula gives a new
monthly amount. e.g..
8000,m0,y4
It the rate is changed to 7.5% (say), enter the following
7.5,m1,y3,m3,y4
Several such functions are supplied as standard (defaults).
Scroll through the stored functions with Ctrl+R and Ctrl+C. When they
are in the calculator's window they can be edited.
Subject: Re: a decent win95 sci calculator?
From: Frank_Hollis-1@sbphrd.com.see-sig (Triple Quadrophenic)
Date: 12 Dec 1996 10:14:59 GMT
In article <01bbe7b8$69c90100$7ad148a6@default>, jclarke@ibm.net (J. Clarke
) dusted off the quill, prised open the inkwell and wrote...
>
>Triple Quadrophenic wrote in article
><58lpnv$3bp@phunn1.sbphrd.com>...
>> Of course it still has major problems - try 2.01 - 2.
>
>What does 2.01-2 yield on your machine? On mine it comes out ".01".
>Perhaps this is one of the items fixed in the bugfix that you can download
>from Microsoft's Web site.
>
It's 0.00 on my office machine (Win3.1) and 0.01 on a lab machine (Win95). I
didn't realise they'd fixed it for Win95. I'm sure it's still buggy on NT3.
--
-- BEGIN NVGP SIGNATURE Version 0.000001
Frank J Hollis, Mass Spectroscopy, SmithKline Beecham, Welwyn, UK
Frank_Hollis-1@sbphrd.com or fjh4@tutor.open.ac.uk
These opinions have not been passed by seven committes, eleven
sub-committees, six STP working parties and a continuous improvement
team. So there's no way they could be the opinions of my employer.
Subject: Re: a decent win95 sci calculator?
From: Frank_Hollis-1@sbphrd.com.see-sig (Triple Quadrophenic)
Date: 12 Dec 1996 10:10:11 GMT
In article <58mssj$c00@alexander.INS.CWRU.Edu>, eas10@po.cwru.edu (Elizabeth
A. Shack) dusted off the quill, prised open the inkwell and wrote...
>
>In article <58lpnv$3bp@phunn1.sbphrd.com>,
Frank_Hollis-1@sbphrd.com.see-sig
>says...
>>
>
>>Of course it still has major problems - try 2.01 - 2.
>
>What's wrong with 0.01?
>
Well, my one reckons the reult is 0.00
--
-- BEGIN NVGP SIGNATURE Version 0.000001
Frank J Hollis, Mass Spectroscopy, SmithKline Beecham, Welwyn, UK
Frank_Hollis-1@sbphrd.com or fjh4@tutor.open.ac.uk
These opinions have not been passed by seven committes, eleven
sub-committees, six STP working parties and a continuous improvement
team. So there's no way they could be the opinions of my employer.
Subject: Re: Choosing an SGI
From: hewat@ill.fr (Alan Hewat)
Date: 12 Dec 1996 13:33:45 GMT
f-murphy@uiuc.edu (Frank Murphy) writes:
> My lab is starting to look into purchasing a new SGI...
> there are so many differing opinions as to the
> Indigos, the O2s and even the Indys that I could use some suggestions
The new O2 line is excellent value for money, especially the R5K models.
For about x2 the price of a standard PC, you will get a very powerful
graphics machine that also does well at number crunching. The R10K model
has a faster cpu, which may not justify the higher price. Buy extra memory
and/or bigger disks from third parties (readily available).
The O2 graphics should rival the Indigo-2 Solid impact at a considerably
lower price. No point in buying the Indy, since the O2 is so much better.
We have about 40 SGI's of all kinds, and are now buying O2's.
Alan Hewat, ILL Grenoble, FRANCE (hewat@ill.fr) fax (33) 76.48.39.06
ftp://ftp.ill.fr/pub/dif http://www.ill.fr/dif/
