import CalcModes2
import os,sys,string,re, time
import analyspdb

def start_it():

    pdb_codes = ['1qla_ABC']

    dir = ''
    errors = []
    
    for code in pdb_codes:
        pdbstruct = open( 'structures/' + code + '.pdb', 'r').read()
    
        pdbfilename = dir + code + '.pdb'
        pdbfile = open(pdbfilename, 'w')
        pdbfile.write(pdbstruct)
        pdbfile.close()
        
        # Checking for the length of the structure. No structure should be larger 
        # than 20000 residues. 
        calphanb = analyspdb.analyspdb(pdbstruct)
        
        if (calphanb > 20000):
            results['messages'] = 'This server does not support systems with more than 20000 residues'
            results['status']='FAILED'
        else: 
            print 'number of ca atoms:',calphanb

            ## calculation of the modes
            print 'Calculating the normal modes...'
            
            if exists(dir + code + '.mode') == 1:
                modefile_name = dir + code + '.mode'
            else:
                try:
                    result = CalcModes2.CalcModes(pdbfilename, dir + code + '.mode')
                    print result
                except AttributeError:
                    errors.append(code)
                    print 'modes cannot be calulated'
        print errors
   
def exists(name):
    exists = 1
    try:
        about = os.stat(name)
        print "Size of file is "+str(about[6])+ " bytes"
    except OSError:
        print "File does not exist or is not accessible"
        exists = 0
    return exists


if __name__ == '__main__':
    start_it()