X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=django_simple%2Ftodo%2Ftemplates%2Finput.html;h=17a4756833fc9507e97c315b498d6cf09a44fa6b;hb=009609508b48e10ef863491daa403bb9564f13bc;hp=05950283aaecd461e8756d19be02b8536992ba36;hpb=aa67f132ede4afc8b194d2c561349a5547d9d1a4;p=django_unres.git diff --git a/django_simple/todo/templates/input.html b/django_simple/todo/templates/input.html index 0595028..17a4756 100644 --- a/django_simple/todo/templates/input.html +++ b/django_simple/todo/templates/input.html @@ -21,10 +21,8 @@ external software or online servers (for example Modeller software, Modloop server).
  • Disulfide bonds are read from PDB based on SSBOND records and for multichain -protein COMPND record with propers CHAIN: tokens listing all chains in the -PDB file. See example: +protein proper chain records are necessary. See example:
    -COMPND   3 CHAIN: A, B, C, D;
     SSBOND   1 CYS C  107    CYS C  138
     SSBOND   2 CYS C  124    CYS C  139
     SSBOND   3 CYS C  137    CYS C  149
    @@ -39,7 +37,11 @@ which can crash calculations.
     TER records in PDB file are read to recognize chain's ends.
     
  • Distance distribution (from SAXS experiment) can be added for MREMD -simulation in advanced mode. First column distance, second column +simulation in advanced mode. First column distance in Angstroms, second column distribution function value (separated by space). +
  • +Secondary structure restraints can be added to MD and MREMD +simulation in advanced mode. Sequence of letters H,E and C or - for each +residue is used to input helical, extended and no restraints, respectively. {% endblock %}