HowTos

This page lists the HowTos for different software packages linked to CCPN.

CcpNmr Analysis

Projects

• Create a new project

Experiments & Spectra

• Load spectra

• Deal with multiplications of spectrum contours

Windows

• Navigate between windows

• Transpose the axes in a multidimensional window

Peaks & Peak Lists

• Add a peak list to a spectrum

• Pick peaks

• Pick and assign 3D peaks from 2D root peaks

• Find matching peaks

• Copy peaks between or within spectra

• Copy assignments between peaks

• Copy assignments between molecular chains

• Make synthetic peak lists

• Transfer assignments and compare frequencies when peaks have moved

• Unaliase a peak

• Separate peaks and estimate peak volumes using the Peak Separator

Molecules

• Create a new molecule from a sequence

• Create disulfide bridges in a molecule

• Set up multimers: dimers and homodimers

• Create duplex DNA

• Create a sequence with unusual residues or mixed types

• Create and import a residue template

• Add a non-standard small molecule

• Change the sequence of your molecule

Assignments

• Assign a peak

• Assign NOEs based on structural information

• Assign groups

• Propagate assignments

• Check for assignment errors

• Make an automatic sequential assignment

• Predict a spin system type

• Predict the residue type of a spin system and the optimal arrangement of residue types

• Inspect and modify spin systems and resonances

• Get more assignment possibilities

Customize Analysis

• Set contour levels

• Set contour colors

• Set aspect ratio

• Set crosshairs

• Set 1D slice range

• Set keyboard shortcuts

• Set spectrum display options

• Set window names

• Set the window background color

• Set fonts

• Set peak annotations

• Set peak box size

• Arrange peak labels

Structures and Restraints

• Generate restraint lists

• Merge and split restraint lists

• Analyse structures

• Analyse restraints and violations for a generated structure

• Run CING from Analysis

• Run structure calculation programs

Data transfer

• Export data

• Import data

• Move data between projects

• Get updates

Data Analysis

• Calculate T1, T2 or T1rho relaxation constants

• Calculate heteronuclear NOE values 

• Calculate 3J H-Ha coupling constants

Macros

• Write a macro

Installation

• Analysis 2.x on CentOS 5.x with system libraries

• Analysis 2.x and ARIA 2.3 on CentOS 5.x with Tcl/Tk 8.5 and Python 2.7

• Analysis 2.x and ARIA 2.3 on Centos 7.x with system libraries

• Analysis 2.x on Windows 10 with WSL

CcpNmr FormatConverter

• ChemComp Import

ARIA

• Incorporating disulphide bonds