Praktikum Biophysikalische Chemie: Difference between revisions
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* Make a new directory for the structure calculation, and change into it: | * Make a new directory for the structure calculation, and change into it: | ||
mkdir | mkdir vaso | ||
cd | cd vaso | ||
* Use a text editor to write a new file, vaso.seq, that contains the peptide sequence, one upper-case residue name per line, given in the standard three-letter code for amino acids, e.g. | * Use a text editor to write a new file, vaso.seq, that contains the peptide sequence, one upper-case residue name per line, given in the standard three-letter code for amino acids, e.g. | ||
| Line 25: | Line 25: | ||
ARG | ARG | ||
GLY | GLY | ||
* Use a text editor to write a new initialization script, init.cya, for the program CYANA with the following content: | |||
cyanalib | |||
read seq vaso.seq | |||
These two commands will be executed automatically whenever the program CYANA is started. The cyanalib command reads the standard residue library of CYANA, and the command read seq vaso.seq reads the polypeptide sequence. | |||
* Use a text editor to write a new file, vaso.upl, that contains the upper distance bounds derived from NOESY cross peaks: | * Use a text editor to write a new file, vaso.upl, that contains the upper distance bounds derived from NOESY cross peaks: | ||
Revision as of 17:22, 9 January 2009
- Download the course material: Store the file PBCPraktikumCyana.tgz in your home directory.
- Unpack the data:
tar zxf PBCPraktikumCyana.tgz
- Run the setup command:
setup_cyana
- Make a new directory for the structure calculation, and change into it:
mkdir vaso cd vaso
- Use a text editor to write a new file, vaso.seq, that contains the peptide sequence, one upper-case residue name per line, given in the standard three-letter code for amino acids, e.g.
CYS TYR PHE GLN ASN CYS PRO ARG GLY
- Use a text editor to write a new initialization script, init.cya, for the program CYANA with the following content:
cyanalib read seq vaso.seq
These two commands will be executed automatically whenever the program CYANA is started. The cyanalib command reads the standard residue library of CYANA, and the command read seq vaso.seq reads the polypeptide sequence.
- Use a text editor to write a new file, vaso.upl, that contains the upper distance bounds derived from NOESY cross peaks: