Walter Thiel

28 papers Journal 27Unranked 1
YearRankTypeTitle / Venue / Authors
2019 J jnl
J. Comput. Chem.
Xin Wu, Pavlo O. Dral, Axel Koslowski, Walter Thiel
2019 J jnl
J. Comput. Chem.
Jeaphianne P. M. van Rijn, Andrés M. Escorcia, Walter Thiel
2018 J jnl
J. Comput. Chem.
Andrés M. Escorcia, Jeaphianne P. M. van Rijn, Gui-Juan Cheng, Patrick Schrepfer, Thomas B. Brück, Walter Thiel
2016 J jnl
J. Comput. Aided Mol. Des.
Gerhard König, Frank C. Pickard IV, Jing Huang, Andrew C. Simmonett, Florentina Tofoleanu, Juyong Lee, Pavlo O. Dral, Samarjeet Prasad, Michael R. Jones, Yihan Shao, Walter Thiel, Bernard R. Brooks
2016 J jnl
J. Comput. Chem.
Berit Heggen, Mahendra Patil, Walter Thiel
2016 J jnl
J. Comput. Chem.
Tatiana Vasilevskaya, Maria G. Khrenova, Alexander V. Nemukhin, Walter Thiel
2015 J jnl
J. Comput. Chem.
Tatiana Vasilevskaya, Maria G. Khrenova, Alexander V. Nemukhin, Walter Thiel
2015 J jnl
J. Comput. Chem.
Claudia Loerbroks, Andreas Heimermann, Walter Thiel
2013 J jnl
J. Comput. Chem.
Rong-Zhen Liao, Walter Thiel
2013 J jnl
Nat.
Walter Thiel, Gerhard Hummer
2012 J jnl
J. Comput. Chem.
You Lu, Zhenggang Lan, Walter Thiel
2012 J jnl
J. Comput. Chem.
Katharina Meier, Walter Thiel, Wilfred F. van Gunsteren
2010 J jnl
J. Comput. Chem.
Maja Parac, Markus Doerr, Christel M. Marian, Walter Thiel
2010 J jnl
J. Comput. Chem.
Elsa Sánchez-García, Markus Doerr, Walter Thiel
2009 J jnl
J. Comput. Chem.
Nikolaj Otte, Marco Bocola, Walter Thiel
2007 J jnl
J. Comput. Chem.
Jingjing Zheng, Ahmet Altun, Walter Thiel
2006 J jnl
J. Comput. Chem.
Ahmet Altun, Sason Shaik, Walter Thiel
2005 J jnl
Future Gener. Comput. Syst.
Rainer Steiger, Christian H. Bischof, Bruno Lang, Walter Thiel
2003 J jnl
J. Comput. Chem.
Axel Koslowski, Michael E. Beck, Walter Thiel
2003 J jnl
J. Comput. Chem.
Zhongfang Chen, Haijun Jiao, Gotthard Seifert, Anselm H. C. Horn, Dengke Yu, Timothy Clark, Walter Thiel, Paul von Ragué Schleyer
2002 J jnl
J. Chem. Inf. Comput. Sci.
Fred A. Hamprecht, Walter Thiel, Wilfred F. van Gunsteren
2001 J jnl
J. Comput. Chem.
Kerstin Möhle, Hans-Jörg Hofmann, Walter Thiel
1999 J jnl
J. Comput. Chem.
Serguei Patchkovskii, Walter Thiel
1996 J jnl
J. Comput. Chem.
Serguei Patchkovskii, Walter Thiel
1996 J jnl
J. Comput. Chem.
Dirk Bakowies, Walter Thiel
1995 conf
HPCN Europe
Daron Green, Ian Boston, Walter Thiel
1993 J jnl
J. Comput. Chem.
Matthias Kolb, Walter Thiel
1993 J jnl
J. Comput. Chem.
Matthias Kolb, Walter Thiel
redb/extractors/macho_extractors/macho_segments.py
← Index redb/extractors/macho_extractors/macho_segments.py python
import hashlib
import inspect
import base64
from datetime import datetime, timezone
from typing import Any

from redb.extractors.enum import Tag
from redb.extractors.macho_extractor import MachOExtractor
from redb.models.dataclasses import MachOSegment


class MachOSegmentExtractor(MachOExtractor):

    def __init__(
        self,
        filepath,
        log,
        exporters=None,
        index_prefix=None,
        elastic_index=None,
        known_benign=False,
        known_malicious=False,
        macho=None,
    ):
        super().__init__(
            filepath,
            log,
            exporters,
            index_prefix,
            elastic_index,
            known_benign,
            known_malicious,
            macho,
        )
        self.elastic_index = self.index_prefix + "-macho_segments"
        self.log.debug(inspect.currentframe().f_code.co_name)

    def _is_empty_result(self, extracted_data) -> bool:
        """
        Override: Empty segments is an ERROR, not a valid empty case.
        A valid MachO file must have segments (at minimum __PAGEZERO, __TEXT).
        """
        # Always return False - empty segments should be treated as an error
        return False

    def tag(self):
        return Tag.MACHO_SEGMENT.value

    def _extract_segments_for_arch(self, arch_name):
        """Extract segment information for a specific architecture."""
        self.log.debug(f"Extracting segments for architecture: {arch_name}")
        segments = []

        try:
            # Get segments using new API with architecture parameter
            segments_data = self.macho.get_segments(arch=arch_name)
            if not segments_data:
                return segments

            # Extract segments for this architecture
            for segment in segments_data:
                try:
                    segment_name = segment.get('segname', 'Unknown')

                    # Calculate segment hash
                    segment_data = self._get_segment_data(segment)
                    if segment_data:
                        seg_sha256 = hashlib.sha256(segment_data).hexdigest()
                    else:
                        seg_sha256 = ""

                    # Use entropy already calculated by machofile module, rounded to 3 decimal places
                    seg_entropy = round(segment.get('entropy', 0.0), 3)

                    # Create segment dataclass with architecture info
                    macho_segment = MachOSegment(
                        segment_name=segment_name,
                        segment_vaddr=segment.get('vaddr', 0),
                        segment_vsize=segment.get('vsize', 0),
                        segment_offset=segment.get('offset', 0),
                        segment_size=segment.get('size', 0),
                        segment_max_vm_protection=segment.get('max_vm_protection', 0),
                        segment_initial_vm_protection=segment.get('initial_vm_protection', 0),
                        segment_nsects=segment.get('nsects', 0),
                        segment_flags=segment.get('flags', 0),
                        segment_entropy=seg_entropy,
                        segment_sha256=seg_sha256,
                    )
                    # Add architecture info to the segment
                    macho_segment.architecture = arch_name
                    segments.append(macho_segment)

                except Exception as e:
                    self.log.warning(
                        f'Unable to process segment "{segment.get("segname", "Unknown")}" for architecture {arch_name} in {self.hash.sha256}: {e}'
                    )
                    continue

            return segments

        except Exception as e:
            self.log.error(f"Error extracting MachO segments for architecture {arch_name}: {e}")
            return segments

    def _extract_segments(self):
        """Extract segment information from all architectures in the MachO binary."""
        self.log.debug(inspect.currentframe().f_code.co_name)
        segments = []

        if not self.macho:
            return segments

        try:
            # Get architectures using new API (already parsed in base class)
            architectures = self.macho.get_architectures()
            if not architectures:
                return segments

            # Process each architecture
            for arch_name in architectures:
                arch_segments = self._extract_segments_for_arch(arch_name)
                segments.extend(arch_segments)

            return segments

        except Exception as e:
            self.log.error(f"Error extracting MachO segments: {e}")
            return segments

    def _get_segment_data(self, segment):
        """Get the raw data for a segment."""
        try:
            offset = segment.get('offset', 0)
            size = segment.get('size', 0)
            
            if size == 0:
                return None
            
            # Read segment data from file
            with open(self.filepath, 'rb') as f:
                f.seek(offset)
                return f.read(size)
                
        except Exception as e:
            self.log.warning(f"Error reading segment data: {e}")
            return None

    def extract(self):
        self.log.debug(inspect.currentframe().f_code.co_name)
        try:
            segments = self._extract_segments()
            return segments
        except Exception as e:
            self.log.error(f"Error extracting MachO segments: {e}")
            return None

    def prepare_export_data(self, exporter_type: str) -> Any:
        if exporter_type == "ElasticsearchExporter":
            return self.extract()
        elif exporter_type == "ClickHouseExporter":
            if not self.macho:
                return None

            # Get architectures (macho is already parsed in base class)
            try:
                architectures = self.macho.get_architectures()
                is_fat = len(architectures) > 1
            except Exception as e:
                self.log.error(f"Could not get architectures: {e}")
                return None

            data = []
            current_time = datetime.now(timezone.utc)

            # Loop through each architecture (1 for single, multiple for FAT)
            for arch_name in architectures:
                # Extract segments for this specific architecture
                segments = self._extract_segments_for_arch(arch_name)
                if not segments:
                    continue

                # Get architecture-specific sha256 and header info
                try:
                    arch_general_info = self.macho.get_general_info(arch=arch_name)
                    arch_sha256 = arch_general_info.get('SHA256', self.sha256)

                    # Get raw architecture value
                    arch_header_raw = self.macho.get_macho_header(arch=arch_name)
                    arch_cputype_raw = arch_header_raw.get('cputype', 0) if arch_header_raw else 0
                except Exception as e:
                    self.log.warning(f"Could not get arch-specific data for {arch_name}: {e}")
                    arch_sha256 = self.sha256
                    arch_cputype_raw = 0

                for segment in segments:
                    data.append([
                        arch_sha256,                          # sha256 (architecture-specific)
                        segment.segment_name,                 # segment_name
                        segment.segment_vaddr,                # segment_vaddr
                        segment.segment_vsize,                # segment_vsize
                        segment.segment_offset,               # segment_offset
                        segment.segment_size,                 # segment_size
                        segment.segment_max_vm_protection,    # segment_max_vm_protection
                        segment.segment_initial_vm_protection, # segment_initial_vm_protection
                        segment.segment_nsects,               # segment_nsects
                        segment.segment_flags,                # segment_flags
                        segment.segment_entropy,              # segment_entropy
                        segment.segment_sha256,               # segment_sha256
                        current_time,                         # analysis_date
                    ])

            column_names = [
                'sha256',
                'segment_name', 'segment_vaddr', 'segment_vsize', 'segment_offset',
                'segment_size', 'segment_max_vm_protection', 'segment_initial_vm_protection',
                'segment_nsects', 'segment_flags', 'segment_entropy', 'segment_sha256',
                'analysis_date'
            ]

            if not data:
                return None

            column_type_names = [
                'FixedString(64)',
                'String', 'UInt64', 'UInt64', 'UInt64',
                'UInt64', 'UInt32', 'UInt32',
                'UInt32', 'UInt32', 'Float64', 'FixedString(64)',
                'DateTime64(3, \'UTC\')'
            ]

            return (data, column_names, column_type_names)

        return None

    def get_clickhouse_table(self) -> str:
        return "redb_macho_segments"