[Fwd: relax-users Digest, Vol 74, Issue 3]

2012-09-03 Thread Maddy Strickland
Hello Nicolas, Just to let you know as well, for the error analysis, if you have duplicated spectra, you set them as duplicated, like you have done, but if they are not, you need to get the RMSD noise value from Sparky (using command 'rm'), and then put the value into the script as well, see below

Relax 1.3.11 ri_label

2011-08-23 Thread Maddy Strickland
Hello, I've been trying to use the new 1.3.11, skipping straight from 1.3.9. I've been having trouble with the dauvergne_protocol.py script. The program doesn't seem to recognise this script like 1.3.9 does. The error comes after reading the sequence, so I assume it must be when reading the dat

Temperature calibration T2

2011-07-06 Thread Maddy Strickland
Hi Edward, Yes - what we did was made sure all the R2 experiments were mixed up so that you wouldn't have any problem with sample heating (so 10 ms followed by 1000 ms etc.). We also did two datasets for each of T1 and T2 experiment, alternating T1 and T2 datasets in order to compensate for sampl

[Fwd: Re: [Fwd: Re: Extracting results - eg sphere]]

2011-06-17 Thread Maddy Strickland
ject: Re: [Fwd: Re: Extracting results - eg sphere] From:"Edward d'Auvergne" Date: Thu, June 16, 2011 8:10 am To: "Maddy Strickland" Cc: relax-users@gna.org -- Hi, It is strange t

[Fwd: Re: Extracting results - eg sphere]

2011-06-15 Thread Maddy Strickland
ect for individual 'sphere'/'prolate' etc. that haven't been chosen? Maddy Original Message Subject: Re: Extracting results - eg sphere From: "Edward d'Auvergne" Date:Tue, June 1

Extracting results - eg sphere

2011-06-09 Thread Maddy Strickland
Hello everyone, I was wondering if there was a way to extract results, say just from the spherical folder or just from the ellipsoid folder for example, displayed as s2.txt, rex.txt etc. like with the final data extraction script, but for a different model than is selected by the program? Madele

[Fwd: relax-users Digest, Vol 56, Issue 4]

2011-02-24 Thread Maddy Strickland
ct line so it is more specific than "Re: Contents of relax-users digest..." Today's Topics: 1. Binding studies (Maddy Strickland) 2. Re: ImporError (Edward d'Auvergne) 3. Re: Binding studies (Edward d'Auvergne) 4. Re: Binding studies (S

[Fwd: Re: Binding studies]

2011-02-24 Thread Maddy Strickland
dward d'Auvergne" "Maddy Strickland" "relax-users@gna.org" Sébastien M -- Hi again, One last comment: Is the KD known ? If yes, than the population of bound complex c

Binding studies

2011-02-23 Thread Maddy Strickland
Hi everyone, I'm moving on to looking at dynamics of binding to a receptor which I've already studied using Relax for Lipari-Szabo data. I was wondering if I added some unlabelled peptide to the 15n receptor how I could study the new relaxation data? Can I still use Relax and the same pulse sequ

R2 curve fit problems.

2011-01-11 Thread Maddy Strickland
Hi Edward, I've been trying the new Relax 1.3.7, which has worked well for NOE and R1 calculations, but I'm struggling with the R2. Everything seems to work OK until I get this... - relax> monte_carlo.setup(number=500) relax> monte_carlo.creat

[Fwd: Re: [Fwd: Re: [bug #17341] Compatibility with CCPN Analysis2.1 (fwd)]]

2011-01-10 Thread Maddy Strickland
Subject: Re: [Fwd: Re: [bug #17341] Compatibility with CCPN Analysis2.1 (fwd)] From:"Edward d'Auvergne" Date:Mon, January 10, 2011 9:51 am To: "Maddy Strickland" Cc:

Re: [Fwd: Re: [Fwd: Re: [bug #17341] Compatibility with CCPN Analysis2.1 (fwd)]]

2011-01-10 Thread Maddy Strickland
or you to > convert your old data to heights. > > Regards, > > Edward > > > On 10 January 2011 11:50, Maddy Strickland > wrote: >> Hi Edward, >> >> I have sent an email to them, so it should get sorted out.  I checked >> the >> numbers exporte

Relax 1.3.6 volume/point sum

2011-01-09 Thread Maddy Strickland
Hi Edward, I've been using the 1.3.6. version of Relax today. It is excellent at recognising the Analysis2.1 Sparky formatted files now, thank you Edward, but I thought I might try using my old lists and changing the int_method function in Relax curve fit from 'height' to 'volume' (as they were v

[Fwd: Re: [bug #17341] Compatibility with CCPN Analysis2.1 (fwd)]

2011-01-06 Thread Maddy Strickland
Hi Jo, Thanks for that, you're right is it exporting the volume rather than the peak height. I definitely will email them as this error has undone about a year's worth of work for me! I suppose it will be quicker the second time round though. Looking forwards to recalculating T1, T2, NOE and Li

CCPN Analysis2.1 compatibility

2010-12-16 Thread Maddy Strickland
next week as I have brand new data which I can put up there. Maddy Strickland ps - I'm sorry to hear about your very seasonal 'elf class' problem! -- Message: 2 Date: Tue, 14 Dec 2010 23:27:14 +0100 From: "Edward d'Auvergne" Subje

[Fwd: relax-users Digest, Vol 54, Issue 3]

2010-12-14 Thread Maddy Strickland
Relax, so you have to change every line to A1649N-HN which is a bit of a pain. I really like using Analysis for peak picking and it would be a shame to change. Would it be easier to use another program, which doesn't have so many compatibility issues? Maddy